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Unusual sequence of phase transitions in (NH4)3TiF7 detected by optic and calorimetric studies / S. V. Mel'nikova [et al.] // J. Fluor. Chem. - 2014. - Vol. 165. - P. 14-19, DOI 10.1016/j.jfluchem.2014.05.016. - Cited References: 13. - This work was supported by Russian Foundation for Basic Research (Grant no. 12-02-00056), and the Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation (Grant no. NSh-924.2014.2). . - ISSN 0022-1139. - ISSN 1873-3328

РУБ Chemistry, Inorganic & Nuclear + Chemistry, Organic
Рубрики:
CRYSTAL-STRUCTURE
DIFFRACTION
NH4F
Кл.слова (ненормированные):
Cubic fluorides -- Phase transitions -- Crystal-optic -- Calorimetry
Аннотация: For the first time structural transformations were observed for one of the compounds belonging to the family of double salt fluorides A3MeF7 = A2MeF6·AF. Single crystals of (NH4)3TiF7 = (NH4)2TiF6·NH4F were grown by evaporation of the aqueous solution. Polarizing optical observations, heat capacity and birefringence Δn = (no − ne) measurements were performed in a wide temperature range 100–400 K. Two reversible, first order structural phase transitions were found to be followed by an unusual sequence of symmetry changes: cubic (G3) (T2↓ = 287.5 K; T2↑ = 291–310 K) ↔ P4/mnc (G2) (T1↓ = 358.5 K; T1↑ = 360 K) ↔ 4/m (G1). The twin structures observed were described assuming the existence of cubic parent phase G0 with P m 3 ¯ m symmetry.

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Держатели документа:
RAS, LV Kirensky Phys Inst, Siberian Dept, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Krasnoyarsk 660074, Russia
Russian Acad Sci, Inst Chem, Far Eastern Dept, Vladivostok 690022, Russia

Доп.точки доступа:
Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Pogoreltsev, E. I.; Погорельцев, Евгений Ильич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation for Basic Research [12-02-00056]; Council on Grants from the President of the Russian Federation for the Support of Leading Scientific Schools of the Russian Federation [NSh-924.2014.2]
}
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Thermal, optical, and dielectric properties of Fluoride Rb2TaF7 / E. I. Pogorel'tsev [et al.] // Phys. Solid State. - 2017. - Vol. 59, Is. 5. - P. 986-991, DOI 10.1134/S1063783417050250. - Cited References:21. - The reported study was funded by the Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project no. 16-42-243001. . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITIONS
   X-RAY
   DISORDER
   NMR
   DIFFRACTION
   OXYFLUORIDE
Аннотация: The thermal, optical, and dielectric properties of fluoride Rb2TaF7 were investigated. It was observed that the variation in chemical pressure in fluorides A2+TaF7 caused by the cation substitution of rubidium for ammonium does not affect the ferroelastic nature of structural distortions, but leads to stabilization of the high- and low-temperature phases and enhancement of birefringence. The entropy of the phase transition P4/nmm ↔ Cmma is typical of the shift transformations, which is consistent with a model of the initial and distorted phase structures. The anisotropy of chemical pressure causes the change of signs of the anomalous strain and baric coefficient dT/dp of Rb2TaF7 as compared with the values for its ammonium analog.

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Публикация на русском языке Тепловые, оптические и диэлектрические свойства Rb2TaF7 [Текст] / Е. И. Погорельцев [и др.] // Физ. тверд. тела : Наука, 2017. - Т. 59 Вып. 5. - С. 959-964

Держатели документа:
Russian Acad Sci, Kirensky Inst Phys, Siberian Branch, Fed Res Ctr, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Krasnoyarsk State Pedag Univ, Krasnoyarsk 660060, Russia.
Russian Acad Sci, Inst Chem, Far East Branch, Vladivostok 690022, Russia.

Доп.точки доступа:
Pogorel'tsev, E. I.; Погорельцев, Евгений Ильич; Mel'nikova, S. V.; Мельникова, Светлана Владимировна; Kartashev, A. V.; Карташев, Андрей Васильевич; Gorev, M. V.; Горев, Михаил Васильевич; Flerov, I. N.; Флёров, Игорь Николаевич; Laptash, N. M.; Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund [16-42-243001]
}
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Golovnev, N. N.
The crystal structure of lead(II) 1,3-diethyl-2-thiobarbiturate / N. N. Golovnev, M. S. Molokeev, I. I. Golovneva // Russ. J. Coord. Chem. - 2015. - Vol. 41, Is. 5. - P. 300-304, DOI 10.1134/S1070328415050012. - Cited References:25 . - ISSN 1070. - ISSN 1608-3318. -

РУБ Chemistry, Inorganic & Nuclear
Рубрики:
HYDROGEN-BOND
   COMPLEXES
   ACID
   2-THIOBARBITURATE
   DIFFRACTION
   SERIES
Аннотация: The complex [Pb2(DETBA)4] n (I), where HDETBA is 1,3-diethyl-2-thiobarbituric acid (C8H12N2O2S), was obtained and structurally characterized by X-ray diffraction (CIF file CCDC no. 1031501). The crystals of complex I are trigonal: a = 12.9503(3), c = 32.077(1) Å, V = 4658.9(3) Å3, space group R3¯ , Z = 9. One of the crystallographically independent lead ions, Pb(1)2+, is coordinated in an octahedral fashion by six DETBA− ions through the O atoms. The other ion, Pb(2)2+, is coordinated to six DETBA− ions through three O atoms and three S atoms making up a trigonal prism. The polyhedra Pb(1)O6 and Pb(2)O6 are united through bridging DETBA− ions into infinite layers. The ligands are linked by neither intermolecular hydrogen bonds nor π-π interactions.

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Публикация на русском языке Головнёв, Николай Николаевич. Кристаллическая структура 1,3-диэтил-2-тиобарбитурата свинца(II) [Текст] / Н. Н. Головнёв, М. С. Молокеев, И. И. Головнева // Координ. химия : Наука, 2015. - Т. 41 № 5. - С. 266–270

Держатели документа:
Siberian Fed Univ, Krasnoyarsk, Russia.
Russian Acad Sci, Siberian Branch, Kirensky Inst Phys, Krasnoyarsk, Russia.
Far Eastern State Transport Univ, Khabarovsk, Russia.
State Agr Univ, Krasnoyarsk, Russia.

Доп.точки доступа:
Molokeev, M. S.; Молокеев, Максим Сергеевич; Golovneva, I. I.
}
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    The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes / N. N. Golovnev [et al.] // Polyhedron. - 2015. - Vol. 85. - P. 493-498, DOI 10.1016/j.poly.2014.09.011. - Cited References:42. - The study has been carried out within the public task of the Ministry ofEducation and Science of the Russian Federation for research engineeringat the Siberian Federal University in 2014. V.V.A. is partly supportedby the Ministry of Education and Science of the Russian Federation. . - ISSN 0277-5387
   Перевод заглавия: Трансформация цис-транс изомеров, спектроскопические и термические свойства Li, Na, K 1,3-диэтил-2-тиобарбитуратных комплексов

РУБ Chemistry, Inorganic & Nuclear + Crystallography
Рубрики:
CRYSTAL-STRUCTURE
   2-THIOBARBITURIC ACID
   STRUCTURAL-CHARACTERIZATION
   HYDROGEN-BOND
   DIFFRACTION
   THIOBARBITURATE
   CHEMISTRY
   NETWORKS
   SPECTRA
   SERIES
Кл.слова (ненормированные):
1,3-Diethyl-2-thiobarbituric acid -- Alkali ions -- X-ray diffraction -- Infrared spectroscopy -- Thermal analysis
Аннотация: Three new complexes of 1,3-diethyl-2-thiobarbituric acid (C8H11N2O2S, HDETBA) with Li+, Na+, K+ alkali ions were synthesized. The complexes have been prepared by neutralization of 1,3-diethyl-2-thiobarbituric acid with the corresponding metal hydroxide in aqueous solution. The colorless crystals have been investigated using X-ray single crystal and powder techniques and characterized by differential scanning calorimetry, thermogravimetry and infrared spectroscopy. The compounds of MDETBA with M = Li and M = Na crystallize in the monoclinic lattice with a = 10.678(1) Å, b = 7.2687(9) Å, c = 13.202(2) Å, β = 108.841(2)°, Z = 4, V = 969.8(2) Å3, S.G. P21/n and a = 10.534(2) Å, b = 7.604(1) Å, c = 14.186(1) Å, β = 108.964(4)°, Z = 4, V = 1074.6(3) Å3, S.G. P21/n, respectively. Сompound KDETBA crystallizes in the orthorhombic lattice with a = 4.2541(6) Å, b = 14.739(2) Å, c = 16.635(3) Å, Z = 4, V = 1043.1(3) Å3, S.G. P212121. In Li(I) and Na(I) complexes, the DETBA− ion is in cis-configuration and, in the K(I) complex, this ion is in trans-configuration. The reason for the transformation from cis- to trans-configuration has been rationalized.

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Держатели документа:
Siberian Fed Univ, Dept Chem, Krasnoyarsk 660041, Russia
SB RAS, Kirensky Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
SB RAS, Inst Chem & Chem Technol, Lab Catalyt Convers Small Mol, Krasnoyarsk 660036, Russia
SB RAS, Irkutsk Favorsky Inst Chem, Phys Chem Lab, Irkutsk 664033, Russia
Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
Tomsk State Univ, Funct Elect Lab, Tomsk 634050, Russia
Novosibirsk State Univ, Lab Semicond & Dielect Mat, Novosibirsk 630090, Russia

Доп.точки доступа:
Golovnev, N. N.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Vereshchagin, Sergey N.; Sterkhova, I. V.; Atuchin, V. V.; Ministry of Education and Science of the Russian Federation
}
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Studies of the heat capacity and thermal expansion of the Na0.95K0.05NbO3 solid solution / M. V. Gorev [et al.] // Phys. Solid State. - 2014. - Vol. 56, Is. 2. - P. 367-372, DOI 10.1134/S1063783414020115. - Cited References: 27. - This study was supported by the Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation (grant no. NSh-4828.2012.2) and the Russian Foundation for Basic Research (project no. 12-02-31799 mol_a). . - ISSN 1063-7834. - ISSN 1090-6460

РУБ Physics, Condensed Matter
Рубрики:
SODIUM NIOBATE
   PHASE-TRANSITIONS
   TEMPERATURE-RANGE
   SINGLE-CRYSTALS
   KNBO3
   FERROELECTRICS
   DIFFRACTION
   OCTAHEDRA
Аннотация: The heat capacity and thermal expansion of ceramic samples of the Na0.95K0.05NbO3 solid solution have been investigated over a wide temperature range of 100-750 K. The observed anomalies in the heat capacity and thermal expansion at T (4) = 297 K, T (3) = 535 K, T (2) = 665 K, and T (1) a parts per thousand 710 K correspond to the sequences of phase transitions N - Q - G - S - T1. It has been shown that, as a result of the phase transitions, the unit cell volume at T (4) and T (2) decreases, and at T (3) and T (1), increases with increasing temperature. The directions of the shift of the phase transition temperatures induced by hydrostatic pressure have been determined. It has been established that all structural transformations are accompanied by relatively small variations in the entropy. Different mechanisms of the structural distortions have been discussed.

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Публикация на русском языке Исследования теплоемкости и теплового расширения твердого раствора Na0.95K0.05NbO3 [Текст] / М. В. Горев [и др.] // Физ. тверд. тела. - 2014. - Т. 56 Вып. 2. - С. 362-367

Держатели документа:
Russian Acad Sci, LV Kirensky Phys Inst, Siberian Branch, Krasnoyarsk 660036, Russia
Siberian Fed Univ, Inst Engn Phys & Radio Elect, Krasnoyarsk 660074, Russia
Southern Fed Univ, Inst Phys Res, Rostov Na Donu 344090, Russia

Доп.точки доступа:
Gorev, M. V.; Горев, Михаил Васильевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Raevskaya, S. I.; Ivliev, M. P.; Raevskii, I. P.; Flerov, I. N.; Флёров, Игорь Николаевич; Council on Grants from the President of the Russian Federation for Support of Leading Scientific Schools of the Russian Federation [NSh-4828.2012.2]; Russian Foundation for Basic Research [12-02-31799 mol_a]
}
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Structural and electronic parameters of ferroelectric K3WO3F3 / V. V. Atuchin [et al.] // Solid State Commun. - 2010. - Vol. 150, Is. 43-44. - P. 2085-2088, DOI 10.1016/j.ssc.2010.09.023. - Cited References: 34. - This study was partly supported by RFBR (Grant 09-02-00062) and SB RAS (Grant 34). . - ISSN 0038-1098

РУБ Physics, Condensed Matter
Рубрики:
CORE-LEVEL SPECTROSCOPY
   PHASE-TRANSITIONS
   RHEED ANALYSIS
   SURFACE
   OXYFLUORIDE
   ELPASOLITE
   (NH4)(2)KWO3F3
   SUBSTITUTION
   TEMPERATURE
   DIFFRACTION
Кл.слова (ненормированные):
Ferroelectrics -- Chemical synthesis -- Electronic structure -- Photoelectron spectroscopies
Аннотация: The low-temperature ferroelectric G2 polymorph of K3WO3F3 oxyfluoride is formed by chemical synthesis. The electronic parameters of G2-K3WO3F3 have been measured by X-ray photoelectron spectroscopy under excitation with Al K alpha radiation (1486.6 eV). Detailed spectra have been recorded for all element core levels and Auger lines. The chemical bonding effects in the WO3 F-3 and WO6 octahedrons are considered by using the binding energy difference Delta BE(O-W) = BE(O 1s) BE(W 4f(7/2)). (C) 2010 Elsevier Ltd. All rights reserved.

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Держатели документа:
[Atuchin, V. V.] SB RAS, Inst Semicond Phys, Lab Opt Mat & Struct, Novosibirsk 630090, Russia
[Gavrilova, T. A.] SB RAS, Inst Semicond Phys, Lab Nanolithog & Nanodiagnost, Novosibirsk 630090, Russia
[Kesler, V. G.] SB RAS, Inst Semicond Phys, Lab Phys Principles Integrated Microelect, Novosibirsk 630090, Russia
[Molokeev, M. S.
Aleksandrov, K. S.] SB RAS, Inst Phys, Lab Crystal Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН

Доп.точки доступа:
Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Молокеев, Максим Сергеевич; Aleksandrov, K. S.; Александров, Кирилл Сергеевич
}
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Simultaneous antiferromagnetic Fe3+ and Nd3+ ordering in NdFe3((BO3)-B-11)(4) / P. . Fischer [et al.] // J. Phys.: Condens. Matter. - 2006. - Vol. 18, Is. 34. - P. 7975-7989, DOI 10.1088/0953-8984/18/34/010. - Cited References: 20 . - ISSN 0953-8984

РУБ Physics, Condensed Matter
Рубрики:
PHASE-TRANSITION
   DIFFRACTION
   CRYSTALS
   GDFE3(BO3)(4)
   SINQ
Кл.слова (ненормированные):
Iron compounds -- Magnetic moments -- Magnetization -- Neodymium compounds -- Neutron diffraction -- Vectors -- Crystal-field effects -- Free ion moment -- Specific heat measurements -- Symmetry analysis -- Antiferromagnetic materials
Аннотация: By means of magnetic susceptibility and specific heat measurements, x-ray and unpolarized neutron diffraction investigations on powder and single-crystal samples, simultaneous long-range antiferromagnetic Fe and Nd ordering in NdFe3((BO3)-B-11)(4) with R32 chemical structure has been found at temperatures below T-N = 30.5(5) K down to 1.6 K. At temperatures down to 19 K the propagation vector is k(hex) = [0, 0, 3/2] and becomes slightly incommensurate at lower temperatures. Combined with symmetry analysis, best powder neutron profile fits are obtained with magnetic spiral configurations with the magnetic moments oriented parallel to the hexagonal basal plane according to the irreducible representations tau(3) in the commensurate case. This is in agreement with the easy directions of magnetization perpendicular to the c-axis as determined by magnetic susceptibility measurements. At 1.6 K the magnetic Fe moment amounts to 4.9 mu(B) B close to the free ion moment of Fe3+. The magnetic Nd3+ moment saturates presumably due to crystal-field effects at 2.7 mu(B).

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Держатели документа:
ETH, Neutron Scattering Lab, CH-5232 Villigen, Switzerland
Paul Scherrer Inst, CH-5232 Villigen, Switzerland
Tech Univ Munich, Dept Phys, D-85748 Garching, Germany
RAS, SB, Inst Phys, Krasnoyarsk 660036, Russia
ИФ СО РАН
Laboratory for Neutron Scattering, ETH Zurich, Paul Scherrer Institut, CH-5232 Villigen PSI, Switzerland
Physik Department E21, TU Munchen, D-85748 Garching, Germany
Institute of Physics SB RAS, Krasnoyarsk 660036, Russian Federation

Доп.точки доступа:
Fischer, P.; Pomjakushin, V.; Sheptyakov, D.; Keller, L.; Janoschek, M.; Roessli, B.; Schefer, J.; Petrakovskii, G. A.; Петраковский, Герман Антонович; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Temerov, V. L.; Темеров, Владислав Леонидович; Velikanov, D. A.; Великанов, Дмитрий Анатольевич
}
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Raman spectroscopy of natural cordierite at high water pressure up to 5?GPa / A. Y. Likhacheva [et al.] // J. Raman Spectrosc. - 2012. - Vol. 43, Is. 4. - P. 559-563, DOI 10.1002/jrs.3060. - Cited References: 38. - We greatly appreciate the critical comments of Prof. R. Kaindl and an anonymous reviewer on this work, and we thank Dr G. Lepezin for providing the cordierite sample. This work was supported by RFBR grant 11-05-01121-a. . - ISSN 0377-0486

РУБ Spectroscopy
Рубрики:
SINGLE-CRYSTAL STRUCTURE
   X-RAY
   CHANNEL H2O
   BEHAVIOR
   SPECTRA
   CO2
   POLYMORPHISM
   DIFFRACTION
   CHEMISTRY
   CAVITIES
Кл.слова (ненормированные):
cordierite -- Raman spectroscopy -- high pressure -- phase transition
Аннотация: The high-pressure behaviour of cordierite, a widespread ring aluminosilicate with channels incorporating fluid compounds (H2O, CO2), is characterized by the absence of phase transitions up to 2.5 GPa. However, the distortion of the ring tetrahedra observed previously at 2.3 GPa is supposed to introduce a phase transition at higher pressure, which has not been checked so far. This work presents a high-pressure Raman spectroscopic study of natural cordierite compressed in water medium up to 4.7 GPa in a diamond anvil cell. At P > 4 GPa, a disordering of both the framework and intrachannel H2O subsystem is apparent from significant broadening of Raman peaks and the evolution of short-range order parameters. This is followed by abrupt shifts of the framework and O–H stretching modes at about 4.5 GPa, indicating a first-order phase transition. Its reversibility is seen from the recovery of the initial spectrum at P < 3 GPa. The shift amplitudes of different framework modes indicate the predominance of distortion over contraction of the framework polyhedra upon this transition. The disordering of the H2O subsystem in the high-pressure phase is likely a consequence of distortion of the channel-forming framework elements, which is supposed to be a driving force of this transition. Copyright © 2011 John Wiley & Sons, Ltd.

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Держатели документа:
[Likhacheva, Anna Yu.
Goryainov, Sergey V.
Bul'bak, Taras A.] RAS, SB, Sobolev Inst Geol Mineral, Novosibirsk 630090 90, Russia
[Krylov, Aleksandr S.] RAS, LV Kirensky Phys Inst, Krasnoyarsk 660036, Russia
[Prasad, Pinnelli S. R.] Natl Geophys Res Inst, Council Sci & Ind Res, Hyderabad 500007, Andhra Pradesh, India

Доп.точки доступа:
Likhacheva, A. Y.; Goryainov, S. V.; Krylov, A. S.; Крылов, Александр Сергеевич; Bul'bak, T. A.; Prasad, PSR
}
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Raman scattering study of temperature induced phase transitions in crystalline ammonium heptafluorozirconate, (NH4)3ZrF7 / A. S. Krylov [et al.] // Vib. Spectrosc. - 2012. - Vol. 62. - P. 258-263, DOI 10.1016/j.vibspec.2012.07.003. - Cited References: 31. - This work was partly supported by integration project SB RAS No 28, Russian Foundation for Basic Research project No 11-02-98002-r_siberia, No 12-02-00056, SS-4828.2012.2. The authors are grateful to Dr. I.N. Flerov for helpful discussions. The assistance of Dr. S. Skokov is sincerely appreciated. . - ISSN 0924-2031

РУБ Chemistry, Analytical + Chemistry, Physical + Spectroscopy
Рубрики:
VIBRATIONAL-SPECTRA
   X-RAY
   DISORDER
   DIFFRACTION
   ELPASOLITE
   SYMMETRY
   RB2KSCF6
   IF7
Кл.слова (ненормированные):
Raman spectroscopy -- Phase transition -- Ammonium heptafluorozirconate -- Low temperature
Аннотация: This paper reports on a Raman spectroscopy investigation of phase transitions in (NH4)3ZrF7 crystal. Raman spectra were obtained and analyzed in a wavenumber range from 3800 to 15 cm−1 and in the temperature range from 7 to 360 K. The anomalies caused by a series of subsequent structural phase transitions have been analyzed. A soft phonon mode restoring in the distorted phase was found. The spectral changes observed in the current study are similar to those typically found in phase transitions near a tricritical point. The spectral changes in the middle wavenumber range, 700–150 cm−1, indicate that the phase transitions are due to structural ordering of pentagonal ZrF73− bipyramids. Spectral data also show that a phase transition near 225 K is accompanied by an increase of the unit cell volume. In addition, spectral changes in the range of internal vibrations of ammonium ions indicate that the ion's motion slows down with decrease of temperature.

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Держатели документа:
[Krylov, A. S.
Krylova, S. N.
Vtyurin, A. N.] LV Kirenskii Inst Phys, Krasnoyarsk 660036, Russia
[Laptash, N. M.] Russian Acad Sci, Inst Chem, Vladivostok 690022, Russia

Доп.точки доступа:
Krylov, A. S.; Крылов, Александр Сергеевич; Krylova, S. N.; Крылова, Светлана Николаевна; Laptash, N. M.; Vtyurin, A. N.; Втюрин, Александр Николаевич
}
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10.

    Probing magnetostructural correlations in multiferroic HoAl3(BO3)4 / H. Zhang [et al.] // Phys. Rev. B. - 2015. - Vol. 92, Is. 10. - Ст. 104108, DOI 10.1103/PhysRevB.92.104108. - Cited References:97. - This work is supported by the U.S.Department of Energy Grant No. DE-FG02-07ER46402. Synchrotron powder x-ray diffraction and x-ray absorption data acquisition were performed at Brookhaven National Laboratory's National Synchrotron Light Source (NSLS). Use of the NSLS was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-98CH10886. The Physical Properties Measurement System used in the heat capacity measurements was acquired under National Science Foundation Major Research Instrumentation Grant No. DMR-0923032 (American Recovery and Reinvestment Act award). This research used resources of the National Energy Research Scientific Computing Center, a U.S. Department of Energy Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231. . - ISSN 1098. - ISSN 1550-235X
   Перевод заглавия: Исследование магнитоструктурной корреляции в мультиферроике HoAl3(BO3)4

РУБ Physics, Condensed Matter
Рубрики:
PAIR DISTRIBUTION FUNCTION
   TOTAL-ENERGY CALCULATIONS
   WAVE BASIS-SET
   FERROELECTRIC POLARIZATION
   DEBYE TEMPERATURES
   SINGLE-CRYSTALS
   HOFE3(BO3)4
   GDFE3(BO3)4
   DIFFRACTION
   FEATURES
Аннотация: The system HoAl3(BO3)(4) has recently been found to exhibit a large magnetoelectric effect. To understand the mechanism, macroscopic and atomic level properties of HoAl3(BO3)(4) were explored by temperature and magnetic field dependent heat capacity measurements, pressure and temperature dependent x-ray diffraction measurements, as well as temperature and magnetic field dependent x-ray absorption fine structure measurements. The experimental work was complemented by density functional theory calculations. An anomalous change in the structure is found in the temperature range where large magnetoelectric effects occur. No significant structural change or distortion of the HoO6 polyhedra is seen to occur with magnetic field. However, the magnetic field dependent structural measurements reveal enhanced correlation between neighboring HoO6 polyhedra. This observed response is seen to saturate near 3 T. A qualitative atomic level description of the mechanism behind the large electric polarization induced by magnetic fields in the general class of RAl3(BO3)(4) systems (R = rare earth) is developed.

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Держатели документа:
New Jersey Inst Technol, Dept Phys, Newark, NJ 07102 USA.
SUNY Stony Brook, Inst Mineral Phys, Stony Brook, NY 11794 USA.
Brookhaven Natl Lab, Photon Sci Div, Upton, NY 11973 USA.
RAS, Siberian Branch, LV Kirensky Inst Phys, Krasnoyarsk 660036, Russia.

Доп.точки доступа:
Zhang, H.; Yu, T.; Chen, Z.; Nelson, C. S.; Bezmaternykh, L. N.; Безматерных, Леонард Николаевич; Abeykoon, A. M. M.; Tyson, T. A.
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