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Temperature Raman study of Li4Ti5O12 and ambiguity in the number of its bands / A. A. Nikiforov, A. S. Krylov, S. N. Krylova [et al.] // J. Raman Spectrosc. - 2024. - Vol. 55, Is. 3. - P. 406-415, DOI 10.1002/jrs.6641. - Cited References: 51. - The research was funded by the Russian Science Foundation (project No 22-22-00350, https://rscf.ru/project/22-22-00350) . - ISSN 0377-0486. - ISSN 1097-4555
Кл.слова (ненормированные):
defects -- distortions -- lithium titanate -- lithium titanium oxide -- spinel structure
Аннотация: The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F2g band shifts to estimate the sample heating.

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Держатели документа:
Institute of Natural Sciences and Mathematics, Ural Federal University, Ekaterinburg, Russia
L.V. Kirensky Institute of Physics SB RAS, Krasnoyarsk, Russia
Independent Researcher, Ekaterinburg, Russia

Доп.точки доступа:
Nikiforov, A. A.; Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Gorshkov, V. S.; Pelegov, D. V.
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Temperature phase transitions in silver niobate and lithium-tantal-modified silver niobate ceramics / A. S. Krylov, S. N. Krylova, A. N. Vtyurin [et al.] // Phys. Chem. Chem. Phys. - 2023. - Vol. 25, Is. 16. - P. 11410-11417, DOI 10.1039/D3CP00607G. - Cited References: 42. - The work was financially supported by the Russian Foundation for Basic Research and DFG project number No 21-52-12018. The temperature Raman experiments were performed in the Krasnoyarsk Regional Center of Research Equipment of Federal Research Center “Krasnoyarsk Science Center SB RAS” . - ISSN 1463-9076. - ISSN 1463-9084
Аннотация: The temperature behaviour of the 0.955 AgNbO3--0.045 LiTaO3and AgNbO3 ceramics were studied in the range from 10 to 415 K by Raman spectroscopy. Ab initio calculations of the Raman spectra in the Pmc21 phase of AgNbO3 were carried out using three potentials (A-PZ, PBE, PBEsol) for spectra interpretation. The Raman spectra peculiarities in AgNbO3 ceramics is observed and explained. The differences in the spectra of the 0.955 AgNbO3--0.045 LiTaO3 and AgNbO3 ceramics are shown. The temperatures of structural changes in the 0.955 AgNbO3--0.45 LiTaO3 and AgNbO3 ceramics were discussed. The structural phase transition below 120 K have been observed in silver niobate. The phase transition has been observed at 310 K and below 150 K in 0.955 AgNbO3--0.045 LiTaO3.

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Держатели документа:
Kirensky Institute of Physics Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Siberian Federal University, Kirenskogo str. 28, Krasnoyarsk, Russia
Ioffe Institute, Polytekhnicheskaya 26, 194021, St. Petersburg, Russia
Electronic Materials Research Laboratory, International Center for Dielectric Research, Xi’an Jiaotong University, Xi’an, 710049, China

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Vtyurin, A. N.; Втюрин, Александр Николаевич; Roginskii, Evgenii M.; Jin, Li; Tian, Ye; Wei, Xiaoyong
}
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LixAg1–xGaSe2: interplay between lithium and silver in mid-infrared nonlinear optical chalcogenides / L. Isaenko, L. Dong, A. Kurus [et al.] // Adv. Opt. Mater. - 2022. - Vol. 10, Is. 24. - Ст. 2201727, DOI 10.1002/adom.202201727. - Cited References: 37. - This work was supported by the National Natural Science Foundation of China (Grant No. 22133004), Russian Science Foundation, grant # 19‐12‐00085‐P (crystal growth, crystal structure analysis, band gap measurement) and partly done on state assignment of IGM SB RAS (composition chemical analysis) . - ISSN 2195-1071
Кл.слова (ненормированные):
chalcogenides -- energy band gap -- mid-IR nonlinear optical crystals -- second harmonic generation -- structure analysis
Аннотация: AgGaSe2 and LiGaSe2 are two famous mid-infrared nonlinear optical (NLO) materials with similar chemical formula but different structural symmetry. The former material has relatively larger NLO effect and birefringence but rather small energy band gap, while the latter is the opposite. Aiming at achieving a good balance of NLO properties, here the substitution between silver and lithium ions on the evolution of structural and optical properties in a new series of LixAg1–xGaSe2 crystals is systematically investigated. It reveals that, with the increase of Li content, LixAg1–xGaSe2 almost keeps the same tetragonal symmetry with AgGaSe2 until x ≈ 0.9. The NLO effects and birefringence values vary with respect to x with the largest variation at x = 0.8–0.9. The optimal combination of birefringence (0.03–0.025) and nonlinear parameters (26–30 pm V−1) is achieved at x = 0.4–0.5. As the energy band gap increases with the increase of x, the maximal value of 2.2 eV for chalcopyrite structure suggests that the laser-induced damage threshold of LixAg1–xGaSe2 would be as large as five-fold of AgGaSe2. This study provides a good example to show that the rational substitution between Li and Ag can significantly improve the balance of NLO properties in chalcogenides.

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Держатели документа:
Novosibirsk State University, Novosibirsk, 630090, Russian Federation
Functional Crystal Lab, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing, 100190, China
V.S. Sobolev Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences, Novosibirsk, 630090, Russian Federation
University of Chinese Academy of Sciences, Beijing, 100049, China
L.V. Kirensky Institute of Physics SB RAS, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Isaenko, L.; Dong, L.; Kurus, A.; Lin, Z.; Yelisseyev, A.; Lobanov, S.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Korzhneva, K.; Goloshumova, A.
}
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    Thermophysical properties of lithium thiogallate that are important for optical applications / A. Kurus, A. Yelisseyev, S. Lobanov [et al.] // RSC Adv. - 2021. - Vol. 11, Is. 62. - P. 39177-39187, DOI 10.1039/d1ra05698k. - Cited References: 41. - Crystal growth and investigation of physical properties were supported by Russian Science Foundation, Russia (#19-12-00085). Spectroscopic study was performed on a state assignment of the Institute of Geology and Mineralogy, Siberian Branch of Russian Academy of Sciences Russia and Ministry of Science and Higher Education, Russia. Measurements of thermal conductivity were funded by RFBR and Novosibirsk region (grant #20-42-543006\20) . - ISSN 2046-2069
   Перевод заглавия: Теплофизические свойства тиогаллата лития, важные для оптических приложений

РУБ Chemistry, Multidisciplinary
Рубрики:
NON-ENANTIOMORPHOUS CRYSTAL
   MID-IR
   SINGLE-CRYSTALS
   FLASH METHOD
Аннотация: Lithium thiogallate LiGaS2 is one of the most common nonlinear crystals for mid-IR due to its extreme beam strength and wide transparency range; however, its thermophysical properties have not yet been practically studied. Large crystals of high optical quality are grown. DTA revealed features at 1224 K below melting point (1304 K) that are associated with the oxygen containing compounds of the LiGaO2−xSx type. The thermal conductivity of LiGaS2 (about 10.05 W (m−1 K−1)) and band gap value (3.93 eV at 300 K) are found to be the highest in the LiBC2 family. Isotropic points in the dispersion characteristics for the refractive index are found and LiGaS2-based narrow-band optical filters, smoothly tunable with temperature changes, are demonstrated. Intense blue photoluminescence of anionic vacancies VS is observed at room temperature after annealing LiGaS2 in vacuum, whereas orange low-temperature emission is related to self-trapped excitons. When LiGaS2 crystals are heated, spontaneous luminescence (pyroluminescence) takes place, or thermoluminescence after preliminary UV excitation; the parameters of traps of charge carriers are estimated. The obtained data confirm the high optical stability of this material and open up prospects for the creation of new optical devices based on LiGaS2.

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Держатели документа:
Novosibirsk State Univ, 2 Pirogov Str, Novosibirsk 630090, Russia.
SB RAS, Sobolev Inst Geol & Mineral, 3 Kopyug Ave, Novosibirsk 630090, Russia.
SB RAS, Nikolaev Inst Inorgan Chem, 3 Lavrentyev Ave, Novosibirsk 630090, Russia.
SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
SB RAS, Inst Chem & Chem Technol, 42 K Marx Str, Krasnoyarsk 66049, Russia.
SB RAS, Kutateladze Inst Thermophys, 1 Lavrentyev Ave, Novosibirsk 630090, Russia.

Доп.точки доступа:
Kurus, Alexey; Yelisseyev, Alexander; Lobanov, Sergei; Plyusnin, Pavel; Molokeev, M. S.; Молокеев, Максим Сергеевич; Solovyev, Leonid; Samoshkin, Dmitry; Stankus, Sergei; Melnikova, S. V.; Мельникова, Светлана Владимировна; Isaenko, Lyudmila; Russian Science Foundation, RussiaRussian Science Foundation (RSF) [19-12-00085]; RFBRRussian Foundation for Basic Research (RFBR) [20-42-543006\20]; Novosibirsk region [20-42-543006\20]
}
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Physical properties of a frustrated uasi-one-dimensional NaCuFe2(VO4)3 magnet and effect of chemical pressure induced by the substitution of sodium for lithium / T. V. Drokina, G. A. Petrakovskii, O. A. Bayukov [et al.] // Phys. Solid State. - 2020. - Vol. 62, Is. 2. - P. 297-307, DOI 10.1134/S1063783420020122. - Cited References: 22 . - ISSN 1063-7834
Кл.слова (ненормированные):
multicomponent vanadates -- structural features -- magnetic properties -- phase transitions -- chemical pressure
Аннотация: The structural, thermal, static magnetic, and resonance properties of the low-dimensional NaCuFe2(VO4)3 compound obtained by the solid-phase synthesis have been investigated. In the temperature range of 110–300 K, the electron spin resonance in the X band with a g factor of 2.008 has been detected. The magnetic properties of a sample with a high frustration level in the paramagnetic, antiferromagnetic, and disordered states have been examined. A shift of the Neel temperature to the high-temperature region in an external magnetic field has been observed. The origin of the disordered magnetism in NaCuFe2(VO4)3 are discussed. The features of substitution of sodium for lithium on the physical properties of the ACuFe2(VO4)3 (A = Na, Li) system have been established. It is shown that the chemical pressure changes the crystal lattice parameters, spacings between magnetic ions, and crystallite size, which is reflected in the physical properties of the material.

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Публикация на русском языке_ Физические свойства фрустрированного квазиодномерного магнетика NaCuFe2(VO4)3 и влияние химического давления при замещении натрия литием [Текст] / Т. В. Дрокина [и др.] // Физ. тверд. тела. - 2020. - Т. 62 Вып. 2. - С. 247-256

Держатели документа:
Kirensky Institute of Physics, Krasnoyarsk Scientific Center, Siberian Branch, Russian Academy of Sciences, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660041, Russian Federation

Доп.точки доступа:
Drokina, T. V.; Дрокина, Тамара Васильевна; Petrakovskii, G. A.; Петраковский, Герман Антонович; Bayukov, O. A.; Баюков, Олег Артемьевич; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vorotynov, A. M.; Воротынов, Александр Михайлович; Popkov, S. I.; Попков, Сергей Иванович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич
}
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    Tuning of photoluminescence and local structures of substituted cations in xSr2Ca(PO4)2-(1 - x)Ca10Li(PO4)7:Eu2+ phosphors / M. Chen [et al.] // Chem. Mater. - 2017. - Vol. 29, Is. 3. - P. 1430-1438, DOI 10.1021/acs.chemmater.7b00006. - Cited References: 37. - The present work was supported by the National Natural Science Foundation of China (Grants 91622125 and 51572023), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-15-003A2). . - ISSN 0897-4756
   Перевод заглавия: Управляемая люминесценция и локальная структура замещаемых катионов в люминофоре xSr2Ca(PO4)2-(1-x)Ca10Li(PO4)7:Eu2+
Кл.слова (ненормированные):
Calcium -- Energy transfer -- Europium -- Light emission -- Lithium -- Luminescence -- Phosphors -- Photoionization -- Photoluminescence -- Single crystals -- Composition ranges -- Crystal-field splitting -- Luminescence measurements -- Non-linear variation -- Photoionization process -- Polyhedra distortion -- Rare earth doped solids -- Temperature dependent -- Solid solutions
Аннотация: Local structure modification in solid solution is an essential part of photoluminescence tuning of rare earth doped solid state phosphors. Herein we report a new solid solution phosphor of Eu2+-doped xSr2Ca(PO4)2-(1 - x)Ca10Li(PO4)7 (0 ≤ x ≤ 1), which share the same β-Ca3(PO4)2 type structure in the full composition range. Depending on the x parameter variation in xSr2Ca(PO4)2-(1 - x)Ca10Li(PO4)7:Eu2+, the vacancies generated in the M(4) site enable the nonlinear variation of cell parameters and volume, and this increases the magnitude of M(4)O6 polyhedra distortion. The local structure modulation around the Eu2+ ions causes different luminescent behaviors of the two-peak emission and induces the photoluminescence tuning. The shift of the emission peaks in the solid solution phosphors with different compositions has been discussed. It remains invariable at x ≤ 0.5, but the red-shift is observed at x > 0.5 which is attributed to combined effect of the crystal field splitting, Stokes shift, and energy transfer between Eu2+ ions. The temperature-dependent luminescence measurements are also performed, and it is shown that the photoionization process is responsible for the quenching effect.

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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
State Key Laboratory of Tribology, Tsinghua University, Beijing, China

Доп.точки доступа:
Chen, M.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Wang, T.; Liu, Q.
}
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Polymeric lithium(I) diaquabarbiturate: Crystal structure / N. N. Golovnev [et al.] // Russ. J. Inorg. Chem. - 2017. - Vol. 62, Is. 6. - P. 746-750, DOI 10.1134/S0036023617060092. - Cited References:23. - This work was performed in the Siberian Federal University within the State task of the Ministry of Education and Science of the Russian Federation for the period of 2014-2016 (project no. 3049). . - ISSN 0036-0236. - ISSN 1531-8613

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
IONIC CO-CRYSTALS
   BARBITURIC-ACID
   COMPLEXES
   NA
   LI
Аннотация: The lithium(I) catena-diaquabarbiturate complex [Li(H2O)2(HBA–O,O′)]n (I), where Н2ВА is barbituric acid, has been structurally characterized by X-ray diffraction (CIF file CCDC no. 1447689), and its thermal decomposition and IR spectrum have been studied. Crystals of complex I are monoclinic, a = 6.4306(7) Å, b = 16.720(1) Å, c = 7.1732(8) Å, β = 108.253(4)°, V = 732.5(1) Å3, space group P21/c, and Z = 4. One independent μ2-bridging HBA– ligand is coordinated to two Li(I) ions via the two oxygen atoms of C4(6)=O carbonyl groups. Each Li+ ion is linked with two μ2-HBA– ions and two terminal water molecules at tetrahedron vertices. μ2-HBA– ions link tetrahedra into a chain. The structure is stabilized by multiple hydrogen bonds and π–π-interaction between HBA–. The shift of ν(C=O) vibration bands in the IR spectrum of complex I in comparison with Н2ВА towards lower frequencies agrees with the coordination of HBA– via oxygen atoms. The dehydration of complex I occurs in two stages in the regions of 100–150 and 150–240°C.

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Публикация на русском языке Кристаллическая структура полимерного диаквабарбитурата лития(I) [Текст] / Н. Н. Головнев [и др.] // Журн. неорг. химии : Наука, 2017. - Т. 62 № 6. - С. 761-765

Держатели документа:
Siberian Fed Univ, Svobodnyi Pr 79, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Siberian Branch, Kirenskii Inst Phys, Akademgorodok 50-38, Krasnoyarsk 660036, Russia.
Far Eastern State Transport Univ, Ul Serysheva 47, Khabarovsk 680021, Russia.
Russian Acad Sci, Siberian Branch, Inst Chem & Chem Technol, Akademgorodok 50-24, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lesnikov, M. K.; Vereshchagin, S. N.; Ministry of Education and Science of the Russian Federation [3049]
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    Probing Eu2+ luminescence from different crystallographic sites in Ca10M(PO4)7:Eu2+ (M = Li, Na, and K) with β-Ca3(PO4)2-type structure / M. Chen [et al.] // Chem. Mater. - 2017. - Vol. 29, Is. 17. - P. 7563-7570, DOI 10.1021/acs.chemmater.7b02724. - Cited References: 34. - The present work was supported by the National Natural Science Foundation of China (Grants 51722202, 91622125, and 51572023), Natural Science Foundations of Beijing (2172036), and Fundamental Research Funds for the Central Universities (FRF-TP-16-002A3). C.C.L. and C.C.S. acknowledge the financial support from the Ministry of Science and Technology of Taiwan (Contract No. MOST 104-2113-M-027-007-MY3), and M. Molokeev acknowledges support of the Russian Foundation for Basic Research (17-52-53031). . - ISSN 0897-4756
   Перевод заглавия: Исследование люминесценции Eu2+ в разных кристаллографических положениях в Ca10M(PO4)7:Eu2+ (M = Li, Na and K) со структурой типа beta-Ca3(PO4)2
Кл.слова (ненормированные):
Calcium -- Doping (additives) -- Excited states -- Light emission -- Lithium -- Luminescence -- Phosphors -- Photoluminescence -- Positive ions -- Rietveld refinement -- Single crystals -- Color tuning -- Crystallographic sites -- Different distributions -- Emission bands -- Local environments -- Long wavelength bands -- Luminescent centers -- Power diffraction data -- Europium
Аннотация: Eu2+ local environments in various crystallographic sites enable the different distributions of the emission and excitation energies and then realize the photoluminescence tuning of the Eu2+ doped solid state phosphors. Herein we report the Eu2+-doped Ca10M(PO4)7 (M = Li, Na, and K) phosphors with β-Ca3(PO4)2-type structure, in which there are five cation crystallographic sites, and the phosphors show a color tuning from bluish-violet to blue and yellow with the variation of M ions. The difference in decay rate monitored at selected wavelengths is related to multiple luminescent centers in Ca10M(PO4)7:Eu2+, and the occupied rates of Eu2+ in Ca(1), Ca(2), Ca(3), Na(4), and Ca(5) sites from Rietveld refinements using synchrotron power diffraction data confirm that Eu2+ enters into four cation sites except for Ca(5). Since the average bond lengths d(Ca-O) remain invariable in the Ca10M(PO4)7:Eu2+, the drastic changes of bond lengths d(M-O) and Eu2+ emission depending on the variation from Li to Na and K can provide insight into the distribution of Eu2+ ions. It is found that the emission band at 410 nm is ascribed to the occupation of Eu2+ in the Ca(1), Ca(2), and Ca(3) sites with similar local environments, while the long-wavelength band (466 or 511 nm) is attributed to Eu2+ at the M(4) site (M = Na and K). We show that the crystal-site engineering approach discussed herein can be applied to probe the luminescence of the dopants and provide a new method for photoluminescence tuning.

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Держатели документа:
Beijing Municipal Key Laboratory of New Energy Materials and Technologies, School of Materials Sciences and Engineering, University of Science and Technology Beijing, Beijing, China
Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center, KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Department of Physics, Far Eastern State Transport University, Khabarovsk, Russian Federation
Institute of Organic and Polymeric Materials, National Taipei University of Technology, Taipei, Taiwan
National Synchrotron Radiation Research Center, Hsinchu, Taiwan

Доп.точки доступа:
Chen, M.; Xia, Z.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Lin, C. C.; Su, C.; Chuang, Y. -C.; Liu, Q.
}
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Thermophysical study of structural phase transitions in Na0.95Li0.05NbO3 solid solution / M. V. Gorev [et al.] // Bull. Russ. Acad. Sci. Phys. - 2016. - Vol. 80, Is. 9. - P. 1046-1050, DOI 10.3103/S1062873816090148. - Cited References: 18. - This work was supported by Southern Federal University, project no. 213.01-2014/012-VG. . - ISSN 1062-8738
Кл.слова (ненормированные):
Niobium oxide -- Sodium -- Specific heat -- Temperature distribution -- Thermal expansion -- Ceramic samples -- Effect of heat treatments -- Possible mechanisms -- Sodium lithium niobate -- Structural distortions -- Structural phase transition -- Temperature dependence -- Temperature range -- Lithium
Аннотация: Temperature dependences of specific heat Cp(T) and coefficient of thermal expansion α(T) for Na0.95Li0.05NbO3 sodium-lithium niobate ceramic samples are investigated in the temperature range of 100–800 K. The Cp(T) and α(T) anomalies at T3 = 310 ± 3 K, T2 = 630 ± 8 K, and T1 = 710 ± 10 K are observed, which correspond to the sequence of phase transitions N ↔ Q ↔ S(R) ↔ T2(S). The effect of heat treatment of the samples on the sequence of structural distortions was established. It is demonstrated that annealing of the samples at 603 K leads to splitting of the anomaly corresponding to the phase transition Q → R/S in two anomalies. After sample heating to 800 K, the only anomaly is observed in both the Cp(T) and α(T) dependence. Possible mechanisms of the observed phenomena are discussed.

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Публикация на русском языке Теплофизические исследования структурных фазовых переходов в твердом растворе Na0.95Li0.05NbO3 [Текст] / М. В. Горев [и др.] // Изв. РАН. Сер. физич. - 2016. - Т. 80 № 9. - С. 1145-1149

Держатели документа:
Kirensky Institute of Physics, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Southern Federal University, Rostov-on-Don, Russian Federation

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Raevskaya, S. I.; Flerov, I. N.; Флёров, Игорь Николаевич; Malitskaya, M. A.; Raevskii, I. P.
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10.

    Теоретическое исследование внедрения атомов лития в кремний / Н. С. Михалева [и др.] // Вестник СибГАУ. - 2015. - Т. 16, № 2. - С. 456-463. - Библиогр.: 55 . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of lithium atoms penetration into silicon
Кл.слова (ненормированные):
ДИФФУЗИЯ -- ЛИТИЙ -- КРЕМНИЙ -- DFT -- DIFFUSION -- LITHIUM -- SILICON
Аннотация: Рассматривается процесс диффузии атомов лития в приповерхностные слои кремния (001). Расчеты выполнялись в рамках теории функционала плотности. Показано, что при малой концентрации лития на реконструированной поверхности кремния (001) энергия связи в подповерхностном слое ниже, чем на поверхности, что препятствует диффузии лития внутрь кристалла. Подобная ситуация существенно не меняется при увеличении температуры. Анализ частот перескока одиночных атомов лития с поверхности в приповерхностные слои показал, что в случае малых концентраций миграция атомарного Li будет осуществляться практически по одному пути реакции (из положения L-состояния, в котором литий находится в канале между димерами). При концентрации лития в два монослоя, наоборот, диффузия в подповерхностные слои становится более предпочтительна. Поскольку при достижении концентрации в один монослой происходит изменение симметрии димеров, диффузия лития внутрь кристалла также облегчается вследствие увеличения плотности положений в каналах между димерами. Таким образом, результат моделирования позволил объяснить причину экспериментального факта затруднения диффузии лития при прохождении через данную поверхность и определить пути возможной модификации поверхности, которая должна увеличить энергию связи атомов лития в приповерхностных состояниях при низких степенях заполнения им поверхности.
The article deals with a theoretical investigation of lithium diffusion through silicon (001) surface within density functional theory formalism. It was shown that it is more energetically favorable for dilute lithium atoms to stay atop fully-relaxed silicon (001) surface than beneath it. This fact hampers the diffusion into the silicon crystal and the situation doesn't change significantly with increase in temperature. The frequencies of lithium atom hopping from the surface to the subsurface layers of silicon crystal were estimated. The analysis of frequencies for different transition paths indicates that in the case of dilute concentration Li atoms are likely to migrate through the surface from one type of sites (site L-located in channels between silicon dimers). With increasing of lithium concentration up to 1 monolayer and further, the silicon (001) surface swaps the asymmetric dimers reconstruction model for symmetric, leading to doubling of number of the sites in between silicon dimers. After the concentration reaches 2 monolayers, the binding energy of Li atoms on the surface becomes less than binding energy beneath the surface, so the diffusion turns to be thermodynamically allowed. As a result of the investigation, the ab-initio modeling puts light on the cause of experimentally observed decelerated lithium diffusion through silicon (001) surface and delivers an opportunity to determine possible techniques for surface modification, which will increase lithium atom binding energies in sites beneath silicon surface at low lithium concentrations.

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Сибирский федеральный университет, Институт цветных металлов и материаловедения
Институт физики им. Л. В. Киренского СО РАН

Доп.точки доступа:
Михалева, Н. С.; Mikhaleva, N. S.; Кузубов, Александр Александрович; Kuzubov, A. A.; Попов, Захар Иванович; Popov, Z. I.; Еремина, А. Д.; Eremina, A. D.; Высотин, Максим Александрович; Visotin, M. A.
}
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11.

Second harmonic generation of femtosecond laser pulses under Raman-Nath nonlinear diffraction / A. M. Vyunishev [et al.] // Bull. Russ. Acad. Sci. Phys. - 2015. - Vol. 79, Is. 2. - P. 190-193, DOI 10.3103/S106287381502032X. - Cited References: 8. - This work was supported by the Grant of the President of the Russian Federation MK-250.2013.2; by RFBR Grant No 15-02-03838; Krasnoyarsk Regional Fund for Science and Technical Activity Support; and by the Russian Academy of Sciences, Project no. 24.31. A.R. Akhmatkhanov is grateful for the support given to young scientists under the Developmental Program of the Ural Federal University. . - ISSN 1062-8738
Кл.слова (ненормированные):
Diffraction -- Harmonic analysis -- Laser pulses -- Nonlinear optics -- Pulse generators -- Ultrafast lasers -- Ultrashort pulses -- Angular characteristics -- Cherenkov -- Lithium niobate -- Nonlinear diffraction -- Periodic domain structures -- Theoretical modeling -- Harmonic generation
Аннотация: The second harmonic generation of femtosecond laser pulses under Raman-Nath nonlinear diffraction in periodic domain structures of lithium niobate is considered. A theoretical model of Cherenkov nonlinear diffraction is used to calculate the spectral-angular characteristics of the second harmonic generation of femtosecond laser pulses under Raman-Nath nonlinear diffraction. Reliability of the results is confirmed by the experimental data. © 2015, Allerton Press, Inc.

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Публикация на русском языке Генерация второй гармоники фемтосекундных лазерных импульсов в условиях нелинейной дифракции Рамана–Ната [Текст] / А. М. Вьюнышев [и др.] // Изв. РАН. Сер. физич. - 2015. - Т. 79 № 2. - С. 213-216

Держатели документа:
Kirensky Institute of Physics, Siberian Branch, Russian Academy of SciencesKrasnoyarsk, Russian Federation
Siberian Federal UniversityKrasnoyarsk, Russian Federation
Ural Federal UniversityEkaterinburg, Russian Federation
OOO LabferEkaterinburg, Russian Federation
ИФ СО РАН

Доп.точки доступа:
Vyunishev, A. M.; Вьюнышев, Андрей Михайлович; Sheremet’eva, Y. A.; Nasedkin, B. A.; Baturin, I. S.; Akhmatkhanov, A. R.; Shur, V. Y.
}
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12.

Study of structural and ferromagnetic resonance properties of spinel lithium ferrite (LiFe5O8) single crystals / N. Pachauri [et al.] // J. Appl. Phys. - 2015. - Vol. 117, Is. 23. - Ст. 233907, DOI 10.1063/1.4922778. - Cited References:32. - This work has been supported by NSF Grant No. ECCS-1102263. Tim Mewes and Behrouz Khodadadi would like to acknowledge support by the NSF-CAREER Award No. 0952929. R. Datta and B. Loukya sincerely acknowledge ICMS for providing advanced microscopy facility and funding. We thank Sahar Keshavarz, Archana Panikar, Stefan Kingler, and Jamileh Beik Mohammadi for help with the experimental work. . - ISSN 0021. - ISSN 1089-7550. -

РУБ Physics, Applied
Рубрики:
EFFECTIVE LINEWIDTH
   MAGNETIC-PROPERTIES
   FIELD
   TEMPERATURE
   DEPENDENCE
Аннотация: The effect of B-site cation ordering on the room temperature structural and ferromagnetic resonance (FMR) properties of single crystal spinel lithium ferrite (LiFe5O8, LFO) have been investigated. A detailed microstructural analysis is done through X-ray diffraction, polarized Raman spectroscopy, and transmission electron microscopy (TEM) to examine the effect of post-annealing on the B-site cation ordering. The X-ray diffraction pattern of the as-grown crystal indicates a disordered state of the crystal. However, the annealed sample shows additional superlattice reflections corresponding to the ordered phase. This ordering is further confirmed by Raman spectra and TEM images, which reveal ordering of Li and Fe ions at the octahedral sites contrasting with the relatively high degree of octahedral site disorder in the as-grown crystal. To study the effect of B-site ordering on the magnetic properties and FMR linewidth, vibrating sample magnetometry and broadband FMR measurements have been performed for both the ordered and disordered phases of lithium ferrite. The value of saturation magnetization for both phases is ∼290 emu/cm3. A single mode FMR profile is observed for both phases with little distortion. The linewidth characteristics of the ordered and disordered phases of lithium ferrite phases are compared, and it is observed that the linewidth is independent of the cation ordering. Both the phases exhibit a low linewidth (∼26 Oe at 30 GHz) and the effective damping parameter for the as-grown and annealed samples is determined to be 0.0021 ± 0.0001.
Влияние катионного упорядочения в Б-позициях при комнатной температуре на структурные свойства и ферромагнитный резонанс (ФМР) монокристалла литий железной шпинели (LiFe5O8, LFO) были исследованы. Подробный анализ микроструктуры делается с использованием рентгеновской дифракции, спектроскопии комбинационного рассеяния поляризованного света и просвечивающей электронной микроскопии (ПЭМ), чтобы изучить влияние после отжига на катионное упорядочение в B-позиции. Рентгеновская дифракционная картина, так выращенных кристаллов указывает на беспорядочное состояние кристалла. Тем не менее, пример показывает дополнительные индексы, соответствующие сверхрешетчатой упорядоченной фазы, при отжиге. Этот порядок подтверждается также спектрами комбинационного рассеяния и ТЕМ изображений, которые показывают порядок ионов Li и Fe в октаэдрических контрастными с относительно высокой степенью восьмигранной расстройства позиций в выращенных кристаллах. Для изучения влияния упорядочения В-позиций на магнитные свойства и ширины линии ФМР, вибрационные образцы магнитометрии и широкополосных ФМР измерений были выполнены как для упорядоченных и неупорядоченных фаз литиевого феррита. Значение намагниченности насыщения для обоих фаз ~290 emu / см3. Одиночный профиль в режиме ФМР наблюдается для обеих фаз с небольшим искажением. Ширина линии характеристики упорядоченной и неупорядоченной фаз литиевых ферритов сравниваются, и следует отметить, что ширина линии не зависит от катионного упорядочения. Оба фазы проявляют малую ширину линии (Э около 26 на 30 ГГц) и эффективный параметр демпфирования, как, для только выращенных, так и для отожженных образцов, определяется как 0,0021 ± 0,0001.

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Держатели документа:
Univ Alabama, Dept Phys & Astron, MINT Ctr, Tuscaloosa, AL 35487 USA.
Univ Alabama, Dept Chem, MINT Ctr, Tuscaloosa, AL 35487 USA.
Jawaharlal Nehru Ctr Adv Sci Res, Int Ctr Mat Sci, Bangalore 560064, Karnataka, India.
Univ Houston, Texas Ctr Superconduct, Houston, TX 77204 USA.
Univ Houston, Dept Phys, Houston, TX 77204 USA.
SB RAS, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Pachauri, Neha; Khodadadi, B.; Althammer, M.; Singh, A.V.; Loukya, B.; Datta, R.; Iliev, M.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Gudim, I. A.; Гудим, Ирина Анатольевна; Mewes, T.; Gupta, A.; NSF [ECCS-1102263]; NSF-CAREER [0952929]; ICMS
}
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13.

Ab initio and empirical modeling of lithium atoms penetration into silicon / N. S. Mikhaleva [et al.] // Comput. Mater. Sci. - 2015. - Vol. 109. - P. 76-83, DOI 10.1016/j.commatsci.2015.06.024. - Cited References: 69. - The authors would like to thank the Institute of Computational Modeling SB RAS, Krasnoyarsk, Information Technology Centre Novosibirsk State University, for providing access to their computational resources. The reported study was supported by RFBR, research project No. 14-02-31071, 14-02-31309, 12-02-00640, by the Council of the President of the Russian Federation for Support of Young Scientists and Leading Scientific Schools (project No. NSh-2886.2014.2), Increase Competitiveness Program of NUST "MISiS" (No. K2-2015-033). The authors also would like to thank Prof. Stephan Irle and L.R. Moskvina for fruitful discussions and helpful ideas. . - ISSN 0927-0256

РУБ Materials Science, Multidisciplinary
Рубрики:
LONG CYCLE LIFE
   CORE-LEVEL SPECTROSCOPY
   CARBON-COATED SILICON
   AUGMENTED-WAVE METHOD
   ION BATTERIES
   MOLECULAR-DYNAMICS
   INTERATOMIC POTENTIALS
   ELECTRONIC-STRUCTURE
   CRYSTALLINE SILICON
   SI(100)2X1 SURFACE
Кл.слова (ненормированные):
Li-ion batteries -- Silicon -- Surface diffusion -- Li diffusion -- Density functional theory -- Molecular dynamics
Аннотация: A process of lithium atoms penetration into silicon (1 0 0) subsurface layers was investigated with the help of DFT method. It was shown that, while the concentration of lithium adatoms on reconstructed (1 0 0) silicon surface is low, the bonding energy of lithium atoms in the subsurface layers is smaller than the bonding energy on the surface, so lithium atoms are unlikely to migrate into the crystal. When the (1 0 0) silicon surface is covered by 2 layers of lithium, migration into the subsurface layer becomes favorable. In addition to this, the reconstruction of the surface changes to the form with symmetric dimers as the concentration increases. Thus, all possible lithium migration paths become energy-wise equal, so the rate of lithium atom transfer into silicon crystal rises. In addition to the ab initio calculations, an ad-hoc empirical interatomic potential was developed and the kinetics of lithium diffusion into silicon were studied. It was shown that lithium penetration proceeds in a layer-by-layer way with a sharp border between undoped and lithiated silicon. This is accounted for the fact that, once a tetrahedral interstice is occupied by a lithium atom, the migration barriers between the adjacent interstices become lower and the rate of diffusion increases. © 2015 Elsevier B.V. All rights reserved.

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Держатели документа:
L.V. Kirensky Institute of Physics SB RAS, 50 bld. 38 Akademgorodok, Krasnoyarsk, Russian Federation
Siberian Federal University, 79 Svobodny pr., Krasnoyarsk, Russian Federation
National University of Science and Technology MISiS, 4 Leninskiy pr., Moscow, Russian Federation

Доп.точки доступа:
Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Popov, Z. I.; Попов, Захар Иванович; Kuzubov, A. A.; Кузубов, Александр Александрович; Fedorov, A. S.; Федоров, Александр Семенович
}
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14.

Vyunishev, A. M.
Theory of second-harmonic generation in a chirped 2D nonlinear optical superlattice under nonlinear Raman-Nath diffraction / A. M. Vyunishev, V. G. Arkhipkin, A. S. Chirkin // J. Opt. Soc. Am. B. - 2015. - Vol. 32, Is. 12. - P. 2411-2416, DOI 10.1364/JOSAB.32.002411. - Cited References:31. - Council of the President of the Russian Federation (MK-2908.2015.2); Russian Foundation for Basic Research (RFBR) (15-02-03838). . - ISSN 0740-3224. - ISSN 1520-8540

РУБ Optics
Рубрики:
FEMTOSECOND LASER-PULSES
   POLED LITHIUM-NIOBATE
   PHOTONIC CRYSTAL
   COMPRESSION
   CONVERSION
Аннотация: We analyze second-harmonic generation (SHG) in a two-dimensional nonlinear optical superlattice (NLOS) with its modulation period being chirped in the propagation direction and constant in the transverse direction. This results in efficient multiple SHG via nonlinear Raman–Nath diffraction. We obtain exact analytical expressions for a SH amplitude generated in chirped 2D NLOSs and for its quasi-phase-matching bandwidth. The results of analytical calculations are in excellent agreement with the numerical ones. We show that the process is robust to angular deviations of NLOS and it can be applied to enable tunable and broadband frequency conversion.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660079, Russia.
Siberian Fed Univ, Lab Nonlinear Opt & Spect, Krasnoyarsk 660079, Russia.
Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119992, Russia.
Moscow MV Lomonosov State Univ, Ctr Int Laser, Moscow 119992, Russia.

Доп.точки доступа:
Arkhipkin, V. G.; Архипкин, Василий Григорьевич; Chirkin, A. S.; Вьюнышев, Андрей Михайлович; Council of the President of the Russian Federation [MK-2908.2015.2]; Russian Foundation for Basic Research (RFBR) [15-02-03838]
}
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15.

    Теоретическое исследование влияния допирования поверхности Si (100) на сорбцию и диффузию лития / А. А. Кузубов [и др.] // Вестник СибГАУ. - 2015. - Т. 16, № 3. - С. 743-749. - Библиогр.: 56. - Исследование выполнено при финансовой поддержке РФФИ в рамках научных проектов No 14-02-31071, 14-02-31309. Авторы выражают благодарность информационно-вычислительному центру (ИВЦ) Новосибирского государственного университета (Новосибирск), Институту компьютерного моделирования СО РАН (Красноярск), Межведомственному суперкомпьютерному центру РАН (Москва), компьютерному центру СФУ, а также НИВЦ МГУ «Лаборатории параллельных информационных технологий» (система СКИФ МГУ «Ломоносов») за предоставление возможности использования вычислительных кластеров, на которых были проведены все расчеты. . - ISSN 1816-9724
   Перевод заглавия: Theoretical study of Si (100) doping influence on lithium sorption and diffusion
Кл.слова (ненормированные):
диффузия -- литий -- кремний -- кремний -- допирование -- метод функционала плотности (DFT) -- diffusion -- lithium -- silicon -- doping -- DFT
Аннотация: В настоящее время перспективным анодным материалом нового поколения считается кремний, поскольку он имеет самую высокую теоретическую удельную емкость (4200 мАч/г). Однако одной из проблем, препятствующих широкому использованию данного материала, является медленная диффузия лития с поверхности кремния в объем, которая может быть решена с помощью модификации поверхности кремния. Проведено моделирование поверхностных процессов сорбции и диффузии лития в допированной поверхности Si (100) с помощью метода функционала плотности. В ходе исследования допирования Si (100) одиночными атомами B, Ga, Ge выявлено, что для всех выбранных нами допантов наиболее выгодны положения замещения кремния, а не адсорбции. Энергия связи допанта с пластиной кремния ослабевает в ряду от германия к галлию. Найдено, что атом бора замещает атом третьего слоя кремния, а германий и галлий занимают положение в первом слое. Тенденция первоначальной сорбции атомов лития в канале между димерами по сравнению с чистым материалом сохраняется и при допировании одиночными атомами B, Ga, Ge. Наблюдается значительное снижение (в случае бора) и увеличение (для галия и германия) энергетических барьеров перехода атома лития по поверхности кремниевой пластины. Величины энергетических барьеров перехода L-U с поверхности в приповерхностные слои при допировании возрастают на 0,05 эВ, что свидетельствует о замедлении данной стадии. В результате работы было обнаружено, что допирование бором, галлием и германием (концентрация составляет 0,3 атомных %) поверхности Si (100) не оказывает значительного влияния на сорбционные и диффузионные параметры.
Currently, silicon is the most promising anode material for a new generation of lithium-ion batteries due to its very high theoretical specific capacity (4200 mAh/g). However, one of the problems hindering the wider use of this material is the slow diffusion of lithium from silicon surface into volume that can be solved by modifying silicon surface. The simulation of surface processes of sorption and diffusion of lithium in doped Si (100) was carried out by using the density functional method. In the study Si (100) doped with single atoms B, Ga, Ge, found that the silicon replacement compared to adsorption are more profitable for all dopants. The binding energy of dopant to silicon decreases from germanium to gallium. It was found that boron atom substitutes for the third layer of silicon, germanium and gallium occupy positions in the first layer. In comparison with the pure material the trend of initial lithium sorption in the channel between silicon dimmers retain for Si (100) doped with single atoms of B, Ga, Ge. Energy barriers of lithium transition on silicon surface substantially reduce (in the case of boron) and increase (in the case of gallium and germanium). The energy barrier of transition from surface to surface layers L-U during the doping increases by 0.05 eV, this shows a moderation of the stage. According to the study, Si (100) doping with boron, gallium and germanium (concentration of 0.3 atomic %) has not significant influence on sorption and diffusion parameters.

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Держатели документа:
Институт физики им. Л.В. Киренского СО РАН

Доп.точки доступа:
Кузубов, Александр Александрович; Kuzubov, A. A.; Михалева, Н. С.; Mikhaleva, N. S.; Попов, Захар Иванович; Popov, Z. I.; Краснов, Павел Олегович; Krasnov, P. O.; Николаева, К. М.; Nikolaeva, K. M.
}
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16.

Spectroscopic and computational study of structural changes in γ-LiV2O5 cathodic material induced by lithium intercalation / M. B. Smirnov [et al.] // J. Phys. Chem. C. - 2015. - Vol. 119, Is. 36. - P. 20801-20809, DOI 10.1021/acs.jpcc.5b05540. - Cited References: 36. - This work was supported by the international collaboration program between the Centre National de la Recherche Scientifique (CNRS) of France and the Russian Foundation for Basic Research (RFBR), LIBASTRAM CNRS Project 6094, and RFBR Grant 13-03-91052. . - ISSN 1932-7447

РУБ Chemistry, Physical + Nanoscience & Nanotechnology + Materials Science, Multidisciplinary
Рубрики:
AUGMENTED-WAVE METHOD
   LIXV2O5 SYSTEM
   AB-INITIO
   VANADIUM PENTOXIDE
   RAMAN-SPECTROSCOPY
   LI INTERCALATION
   OXIDE
   V2O5
   TRANSITION
   TRANSITION
Аннотация: Structure, electronic states, and vibrational dynamics of γ-LiV2O5 were studied by combined use of quantum-chemical calculations and Raman spectroscopy. The spin-polarized DFT+U calculations correctly mimic the structural changes induced by the Li intercalation into the V2O5 framework. The analysis of the density of electronic states shows that the electrons of Li atoms are transferred to the Vb atoms and are aligned in ferromagnetic order. The charge distribution in the system reflects the change of valence state of the Vb atoms from 5+ to 4+, and it is in line with changes of Vb–O bond lengths. The calculated Raman spectrum of the γ-LiV2O5 structure is in line with the experimental Raman spectra that allows a reliable assignment of all prominent Raman peaks. Comparison of the spectra of γ-LiV2O5 and γ'-V2O5 indicates spectral signatures of structural changes induced by the Li insertion into the γ'-V2O5 lattice. Results of the study present the opportunity of using Raman spectroscopy for characterization of structural modifications of the vanadate framework upon intercalation of guest species.

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Держатели документа:
Faculty of Physics, St. Petersburg State University, Petrodvorets, St. Petersburg, Russian Federation
Ioffe Physical Technical Institute, Polytekhnicheskaya 26, St. Petersburg, Russian Federation
Frank Laboratory of Neutron Physics, Joint Institute for Nuclear Research, Dubna, Russian Federation
Laboratoire de Spectrochimie Infrarouge et Raman, UMR 8516 CNRS-, Universite de Lille, Sciences et Technologies, Villeneuve dAscq, France
Institut de Chimie et des Materiaux Paris Est, ICMPE/GESMAT, UMR 7182 CNRS-, Universite Paris Est-Creteil, 2 rue Henri Dunant, Thiais, France
Kirensky Institute of Physics, Akademgorodok, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Smirnov, M. B.; Roginskii, E. M.; Kazimirov, V. Y.; Smirnov, K. S.; Baddour-Hadjean, R.; Pereira-Ramos, J. P.; Zhandun, V. S.; Жандун, Вячеслав Сергеевич
}
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17.

Nonlinear Raman-Nath diffraction of femtosecond laser pulses in a 2D nonlinear photonic crystal / A. M. Vyunishev [et al.] // Opt. Lett. - 2015. - Vol. 40, Is. 17. - P. 4002-4005, DOI 10.1364/OL.40.004002. - Cited References:27. - Council of the President of the Russian Federation (MK-2908.2015.2); Ministry of Education and Science of the Russian Federation (2014/7, UID RFMEFI59414X0011); Russian Foundation for Basic Research (RFBR) (13-02-01391-a, 14-02-01160-a, 15-02-03838). . - ISSN 0146. - ISSN 1539-4794. -

РУБ Optics
Рубрики:
POLED LITHIUM-NIOBATE
2ND-HARMONIC GENERATION
BEAMS
Аннотация: We study second-harmonic generation (SHG) of femtosecond laser pulses in a rectangular two-dimensional nonlinear photonic crystal (NLPC). Multiple SH beams were observed in the vicinity of the propagation direction of the fundamental beam. It has been verified that the angular positions of these beams obey the conditions of nonlinear Raman-Nath diffraction (NRND). The measured SH spectra of specific NRND orders consist of narrow peaks that experience a high-frequency spectral shift as the order grows. We derive an analytical expression for the process studied and find the theoretical results to be in good agreement with the experimental data. We estimate the enhancement factor of nonlinear Raman-Nath diffraction in 2D NLPC to be 70. (C) 2015 Optical Society of America

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Dept Photon & Laser Technol, Krasnoyarsk 660079, Russia.
Siberian Fed Univ, Lab Nonlinear Opt & Spect, Krasnoyarsk 660079, Russia.
Ural Fed Univ, Ekaterinburg 620000, Russia.
Labfer Ltd, Ekaterinburg 620014, Russia.
Moscow MV Lomonosov State Univ, Fac Phys, Moscow 119992, Russia.
Moscow MV Lomonosov State Univ, Ctr Int Laser, Moscow 119992, Russia.

Доп.точки доступа:
Vyunishev, A. M.; Вьюнышев, Андрей Михайлович; Arkhipkin, V. G.; Архипкин, Василий Григорьевич; Slabko, V. V.; Слабко, Виталий Васильевич; Baturin, I. S.; Akhmatkhanov, A. R.; Shur, V. Ya.; Chirkin, A. S.; Council of the President of the Russian Federation [MK-2908.2015.2]; Ministry of Education and Science of the Russian Federation [2014/7, UID RFMEFI59414X0011]; Russian Foundation for Basic Research (RFBR) [13-02-01391-a, 14-02-01160-a, 15-02-03838]
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18.

    Nonlinear Raman-Nath diffraction of femtosecond laser pulses / A. M. Vyunishev [et al.] // Opt. Lett. - 2014. - Vol. 39, Is. 14. - P. 4231-4234, DOI 10.1364/OL.39.004231. - Cited References: 22. - This work was partially supported by the Grant of the President of the Russian Federation MK-250.2013.2, Krasnoyarsk Regional Fund for Science and Technical Activity Support and by the RAS grant no. 24.31. A. A. acknowledges the financial support of young scientists through the Ural Federal University Development Program. The authors thank A. S. Chirkin and I. V. Timofeev for fruitful discussions and A. V. Barannik for optical microscopy of the samples. . - ISSN 0146-9592. - ISSN 1539-4794
   Перевод заглавия: Нелинейная дифракция Рамана-Ната фемтосекундных лазерных импульсов

РУБ Optics
Рубрики:
STRONTIUM BARIUM NIOBATE
   2nd-HARMONIC GENERATION
   PHOTONIC STRUCTURES
   DOMAIN-STRUCTURE
   LITHIUM-NIOBATE
   CRYSTAL
Аннотация: We study the nonlinear Raman–Nath diffraction (NRND) of femtosecond laser pulses in a 1D periodic nonlinear photonic structure. The calculated second-harmonic spectra represent frequency combs for different orders of transverse phase matching. These frequency combs are in close analogy with the well-known spectral Maker fringes observed in single crystals. The spectral intensity of the second harmonic experiences a redshift with a propagation angle, which is opposite the case of Čerenkov nonlinear diffraction. We analyze how NRND is affected by the group-velocity mismatch between fundamental and second-harmonic pulses and by the parameters of the structure. Our experimental results prove the theoretical predictions.

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Держатели документа:
LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660079, Russia
Ural Fed Univ, Ekaterinburg 620000, Russia
Labfer Ltd, Ekaterinburg 620014, Russia

Доп.точки доступа:
Vyunishev, A. M.; Вьюнышев, Андрей Михайлович; Slabko, V. V.; Слабко, Виталий Васильевич; Baturin, I. S.; Akhmatkhanov, A. R.; Shur, V. Y.; Russian Federation [MK-250.2013.2]; Krasnoyarsk Regional Fund for Science and Technical Activity Support; RAS grant [24.31]; Ural Federal University Development Program
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19.

Theoretical study of the lithium diffusion in the crystalline and amorphous silicon as well as on its surface [] / A. S. Fedorov [et al.] // Solid State Phenom. : Selected, peer reviewed papers. - 2014. - Vol. 213: Physics and Technology of Nanostructured Materials II. - P. 29-34, DOI 10.4028/www.scientific.net/SSP.213.29. - Cited References: 21 . - ISSN 1662-9779. - ISSN 978-3-037
Кл.слова (ненормированные):
Ab initio calculations -- Diffusion -- Lithium-ion accumulators -- Silicon
Аннотация: Using the PAW DFT-GGA method and numerical solving of master equation the diffusion rates of lithium atoms inside both crystal and amorphous silicon of LixSi (x= 0.0.5) composition have been calculated for different temperatures. It is shown the diffusion rate for amorphous silicon is ~10 times greater than that for the crystal silicon. For both structures the rate is increased by 1.5-2 orders of magnitude while the lithium concentration is increased up to 0.5 value. This should result in that the LixSi/Si interface will be sharp. This fact has been further confirmed using molecular dynamic calculations based on Angular Dependent Potential (ADP) model. Also binding energies of Li atoms lying on different sites of Si (001) surface as well as the potential barriers for the atom jumps both along the surface and in the subsurface layers have been calculated. The data show the Li atoms move along the surface very easily but their jumps into subsurface layers are very difficult due to the high potential barrier values. В© (2014) Trans Tech Publications, Switzerland.

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Доп.точки доступа:
Galkin, N. \ed.\; Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Popov, Z. I.; Попов, Захар Иванович; Visotin, M. A.; Galkin, N. G.; Asian School-Conference on Physics and Technology of Nanostructured Materials(2 ; 2013 ; Aug. ; 20-27 ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(2 ; 2013 ; авг. ; 20-27 ; Владивосток)
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20.

Theoretical study of the lithium diffusion in the crystalline and amorphous silicon, as well as on its surface at different lithium concentrations / A. S. Fedorov [и др.] // Asian School-Conference on Physics and Technology of Nanostructured Materials. - 2013. - P. 133-134

Материалы конференции

Доп.точки доступа:
Fedorov, A. S.; Федоров, Александр Семенович; Kuzubov, A. A.; Кузубов, Александр Александрович; Eliseeva, N. S.; Popov, Z. I.; Попов, Захар Иванович; Asian School-Conference on Physics and Technology of Nanostructured Materials(2 ; 2013 ; Aug. ; 20-27 ; Vladivostok); Азиатская школа-конференция по физике и технологии наноструктурированных материалов(2 ; 2013 ; авг. ; 20-27 ; Владивосток)
}
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