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Fedorov, A. S.
Ab initio investigations of nanostructures for their application as nanostructured thermoelectric materials / A. S. Fedorov, M. A. Visotin // International school/workshop on actual problems of condensed matter physics : Program. Book of abstracts / ed. S. G. Ovchinnikov. - Norilsk, 2018. - P. 18 . - ISBN 978-5-904603-08-3

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Доп.точки доступа:
Ovchinnikov, S. G. \ed.\; Овчинников, Сергей Геннадьевич; Visotin, M. A.; Высотин, Максим Александрович; Федоров, Александр Семенович; Federal Research Center KSC SB RAS; Kirensky Institute of Physics; Research Institute of Agriculture and Ecology of the Arctic; Siberian Federal Univercity
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Crystal structure and thermoelectric properties of mechanically activated LaCoO3 / V. A. Dudnikov, Yu. S. Orlov, L. A. Solovyov [et al.] // J. Taiwan Inst. Chem. Eng. - 2024. - Vol. 162. - Ст. 105560, DOI 10.1016/j.jtice.2024.105560. - Cited References: 88. - This study was supported by the Russian Science Foundation , project no. 24-22-00091 . - ISSN 1876-1070. - ISSN 1876-1089
Кл.слова (ненормированные):
Rare-earth cobalt oxides -- Crystal structure -- Thermoelectric properties -- Mechanical activation
Аннотация: Background: Crystal structure of rare-earth LaCoO3 cobalt oxide subjected to high energy mechanical activation has been studied. In the temperature range of 300–800 K, the electrical conductivity and Seebeck coefficient were measured. Thermal conductivity was measured at 300–480 K. Methods: Comparative analysis of thermoelectric properties of the samples prepared by standard solid-state reaction and using high-energy mechanical activation was carried out. Findings: It was found that the experimental X-ray diffraction patterns are best described within the model that allows the coexistence of two domains in samples with the same crystal symmetry, but different lattice a and c parameters. The percentage ratio of these domains in the samples depends significantly on the size of the initial particles in the solid-state synthesis reaction and the annealing temperature. Mechanical activation and increase of synthesis temperature result in change of Seebeck coefficient sign and significant decrease of electrical resistivity. The Seebeck coefficient of non-activated samples takes positive values over the entire temperature range and decreases monotonically with increasing temperature, in contrast to mechanically activated samples exhibiting ambipolar behavior.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia
Siberian Federal University, Krasnoyarsk, 660041, Russia
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russia

Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Solovyov, L. A.; Vereshchagin, S. N.; Ustyuzhanin, Yu. N.; Устюжанин, Юрий Николаевич; Zharkov, S. M.; Жарков, Сергей Михайлович; Zeer, G. M.; Borus, A. A.; Борус, Андрей Андреевич; Bondarev, V. S.; Бондарев, Виталий Сергеевич; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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DFT investigation of electronic structures and magnetic properties of halides family MeHal3 (Me=Ti, Mo,Zr,Nb, Ru, Hal=Cl,Br,I) one dimensional structures / A. A. Kuzubov [et al.] // J. Magn. Magn. Mater. - 2017. - Vol. 440: EURO-Asian Symposium on Trends in Magnetism (EASTMAG) (AUG 15-19, 2016, Siberian Fed Univ, Krasnoyarsk, RUSSIA). - P. 93-96, DOI 10.1016/j.jmmm.2016.12.054. - Cited References:16. - This work was supported by the Russian Science Foundation, Project no. 16-13-00060. N.S.M. thanks the Russian Foundation for Basic Research, project RFBR 16-32-60003 mol_a_dk, for the financial support of ZrIINF3/INF, TiIINF3/INF and NbIINF3/INF electronic structure calculations . - ISSN 0304-8853. - ISSN 1873-4766

РУБ Materials Science, Multidisciplinary + Physics, Condensed Matter
Рубрики:
INITIO MOLECULAR-DYNAMICS
TOTAL-ENERGY CALCULATIONS
AUGMENTED-WAVE
Кл.слова (ненормированные):
Transition metal trihalides -- Magnetic properties -- Thermoelectric -- conversion -- Density functional theory
Аннотация: Using DFT GGA calculations, electronic structure and magnetic properties of wide family of transition metal trihalides (TMHal3) (Zr, Ti and Nb iodides, Mo, Ru, Ti and Zr bromides and Ti or Zr chlorides) are investigated. These structures consist of transition metal atoms chains surrounded by halides atoms. Chains are connected to each other by weak interactions. All TMHal3 compounds were found to be conductive along chain axis except of MoBr3 which is indirect gap semiconductor. It was shown that NbI3 and MoBr3 have large magnetic moments on metal atoms (1.17 and 1.81 µB, respectively) but other TMHal3 materials have small or zero magnetic moments. For all structures ferromagnetic and anti-ferromagnetic phases have almost the same energies. The causes of these properties are debated.

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Доп.точки доступа:
Kuzubov, A. A.; Кузубов, Александр Александрович; Kovaleva, E. A.; Ковалева, Евгения Андреевна; Popova, M. I.; Kholtobina, A. S.; Mikhaleva, N. S.; Михалева, Наталья Сергеевна; Visotin, M. A.; Высотин Максим Александрович; Fedorov, A. S.; Федоров, Александр Семенович; Russian Science Foundation [16-13-00060]; Russian Foundation for Basic Research [RFBR 16-32-60003 mol_a_dk]; Euro-Asian Symposium "Trends in MAGnetism"(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); "Trends in MAGnetism", Euro-Asian Symposium(6 ; 2016 ; Aug. ; 15-19 ; Krasnoyarsk); Институт физики им. Л.В. Киренского Сибирского отделения РАН
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KARYAGIN, V. V.
DRAG THERMOELECTRIC-POWER OF A TWO-DIMENSIONAL ELECTRON-GAS IN A GAAS-GAAIAS HETEROSTRUCTURE / V. V. KARYAGIN, I. I. LYAPILIN, V. V. DYAKIN // SOVIET PHYSICS SEMICONDUCTORS-USSR. - 1988. - Vol. 22, Is. 8. - P. 954-955. - Cited References: 3 . - ISSN 0038-5700

РУБ Physics, Condensed Matter

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Доп.точки доступа:
LYAPILIN, I. I.; DYAKIN, V. V.
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Effect of A-site cation ordering on the thermoelectric properties of the complex cobalt oxides Gd1-xSrxCoO3-δ (x = 0.8 and 0.9) / V. A. Dudnikov [et al.] // Ceram. Int. - 2018. - Vol. 44, Is. 9. - P. 10299-10305, DOI 10.1016/j.ceramint.2018.03.037. - Cited References: 38. - This work was supported by the Russian Science Foundation , project no. 16-13-00060. . - ISSN 0272-8842
Кл.слова (ненормированные):
Substituted rare earth cobalt oxides -- Thermoelectric oxide materials -- Ordered and disordered states
Аннотация: The effect of substitution of Sr2+ ions for Gd3+ ions on the phase composition, electrical resistivity, thermoelectricity, and thermal conductivity of rare-earth cobalt oxides Gd1-xSrxCoO3-δ (x = 0.8 and 0.9) has been investigated. It has been determined that at the investigated strontium concentrations, the single-phase disordered nonstoichiometric cubic perovskites and superstructures with ordered Sr2+/Gd3+ ions and anion vacancies can be formed. The influence of ordering/disordering of Gd and Sr cations over crystal-lattice A- sites on the thermoelectric figure of merit and sample stability at high temperatures has been studied. The thermoelectric figure of merit of the disordered samples was found to exceed by far the analogous parameter of the ordered samples, which allows us to consider the disordering as a way of improving the thermoelectric parameters. Two contributions to the conductivities are discussed: high-temperature thermoactivation and low-temperatures variable range hopping. The parameters of the Mott electronic structure, including DOS N(εF), hopping energy ε (the energy of hopping conductivity activation), and hopping length Rh, have been estimated.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Siberian Federal University, Krasnoyarsk, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center KSC SB RAS, Krasnoyarsk, Russian Federation
Ioffe Physical-Technical Institute, Russian Academy of Sciences, St. Petersburg, Russian Federation
Lebedev Physical Institute, Russian Academy of Sciences, Moscow, Russian Federation

Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Kazak, N. V.; Казак, Наталья Валерьевна; Fedorov, A. S.; Федоров, Александр Семенович; Solov'yov, L. A.; Vereshchagin, S. N.; Burkov, A. T.; Novikov, S. V.; Gavrilkin, S. Yu.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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Effect of mechanical activation on the thermoelectric properties of Sr1-xSmxTiO3 ceramics / Y. S. Orlov, S. N. Vereshchagin, S. V. Novikov [et al.] // Ceram. Int. - 2021. - Vol. 47, Is. 20. - P. 28992-28999, DOI 10.1016/j.ceramint.2021.07.060. - Cited References: 31. - This study was supported by the Russian Science Foundation, project no. 19-72-00097 . - ISSN 0272-8842. - ISSN 1873-3956

РУБ Materials Science, Ceramics
Рубрики:
SRTIO3
   LA
   MICROSTRUCTURE
   CONDUCTIVITY
   PERFORMANCE
   FIGURE
   MERIT
Кл.слова (ненормированные):
Strontium titanate solid solutions -- Thermoelectric oxide materials -- Mechanochemical activation
Аннотация: The Sr1-xSmxTiO3 (х = 0.025, 0.05, 0.075, 0.1, 0.2) strontium titanate solid solutions were prepared from oxides and carbonates using a conventional ceramic technology based on the mechanochemical activation. The electrical conductivity and Seebeck coefficient of the synthesized compounds were measured in the temperature range from 300 to 800 K. We found that the properties of the samples significantly depend on the preliminary mechanochemical activation. The thermoelectric power factor attains maximum value in the hydrogen reduced samples with concentration of х = 0.05 and 0.075 obtained from nanoparticles: 5.5 μW/(cm · K2) for Sr0.95Sm0.05TiO3 (580 K) and 4.10 μW/(cm · K2) for Sr0.925Sm0.075TiO3 (650 K). An increase in the annealing temperature of mechanically activated samples leads to an even greater increase in electrical conductivity and power factor: 9.2 μW/(cm · K2) for Sr0.925Sm0.075TiO3 (650 K).

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Держатели документа:
Russian Acad Sci, Siberian Branch, Krasnoyarsk Sci Ctr, Kirensky Inst Phys, Krasnoyarsk 660036, Russia.
Siberian Fed Univ, Krasnoyarsk 660041, Russia.
Russian Acad Sci, Inst Chem & Chem Technol, Krasnoyarsk Sci Ctr, Siberian Branch, Krasnoyarsk 660036, Russia.
Ioffe Inst, St Petersburg 194021, Russia.

Доп.точки доступа:
Orlov, Yu. S.; Орлов, Юрий Сергеевич; Vereshchagin, S. N.; Novikov, S., V; Burkov, A. T.; Borus, A. A.; Борус, Андрей Андреевич; Sitnikov, M., V; Solovyov, L. A.; Volochaev, M. N.; Волочаев, Михаил Николаевич; Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Russian Science FoundationRussian Science Foundation (RSF) [19-72-00097]
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Effect of oxygen nonstoichiometry on electrical conductivity and thermopower of Gd0.2Sr0.8FeO3-δ ferrite samples / V. Dudnikov [et al.] // Materials. - 2019. - Vol. 12, Is. 1. - Ст. 74, DOI 10.3390/ma12010074. - Cited References: 24 . - ISSN 1996-1944
Кл.слова (ненормированные):
Rare-earth-substituted cobalt oxides -- Stability -- Thermoelectric properties
Аннотация: The behavior of the resistivity and thermopower of the Gd0.2Sr0.8FeO3−δ ferrite samples with a perovskite structure and the sample stability in an inert gas atmosphere in the temperature range of 300–800 K have been examined. It has been established that, in the investigated temperature range, the thermoelectric properties in the heating‒cooling mode are stabilized at δ ≥ 0.21. It is shown that the temperature dependencies of the resistivity obtained at different δ values obey the activation law up to the temperatures corresponding to the intense oxygen removal from a sample. The semiconductor‒semiconductor electronic transitions accompanied by a decrease in the activation energy have been observed with increasing temperature. It is demonstrated that the maximum thermoelectric power factor of 0.1 µW/(cm·K2) corresponds to a temperature of T = 800 K.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center Krasnoyarsk Scientific Center, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, 660036, Russian Federation
Institute of Engineering Physics and Radio Electronics, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation
Institute of Chemistry and Chemical Technology, Federal Research Center Krasnoyarsk Scientific Center, Russian Academy of Sciences, Siberian Branch, Krasnoyarsk, 660036, Russian Federation
Ioffe Institute, St. Petersburg, 194021, Russian Federation

Доп.точки доступа:
Dudnikov, V. A.; Дудников, Вячеслав Анатольевич; Orlov, Yu. S.; Орлов, Юрий Сергеевич; Fedorov, A. S.; Федоров, Александр Семенович; Solovyov, L.; Vereshchagin, S.; Burkov, A. T.; Novikov, S.; Ovchinnikov, S. G.; Овчинников, Сергей Геннадьевич
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Electrical and thermoelectric properties of cation – substituted GdXMn1-XS sulphides [Text] / O. F. Demidenko, A. I. Galyas [et al.] // IV Euro-Asian Symposium "Trends in MAGnetism" Nanospintronics (EASTMAG-2010). School for young scientist "Spintronics" : June 28 - Lule 2, 2010"Book of abstracts. - Ekaterinburg, 2010. - P. 72

РИНЦ

Доп.точки доступа:
Demidenko, O.F.; Galyas, A.I.; Makovetskii, G.I.; Romanova, O.B.; Ryabinkina, L.I.; Yanushkevich, K.I.; Euro-Asian Symposium "Trends in MAGnetism"(4 ; 2010 ; Jun.-Jul. ; Ekaterinburg); "Trends in MAGnetism", Euro-Asian Symposium(4 ; 2010 ; Jun.-Jul. ; Ekaterinburg); Уральское отделение РАН
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Aplesnin, S. S.
Electronic transition, ferroelectric and thermoelectric properties of bismuth pyrostannate Bi2(Sn0.85Cr0.15)2O7 / S. S. Aplesnin, L. V. Udod, M. N. Sitnikov // Ceram. Int. - 2018. - Vol. 44, Is. 2. - P. 1614-1620, DOI 10.1016/j.ceramint.2017.10.082. - Cited References: 41. - The authors would like to thank M. Molokeev for the clarification of x-ray spectra. The reported study was funded by Russian Foundation for Basic Research, Government of Krasnoyarsk Territory, Krasnoyarsk Region Science and Technology Support Fund to the research project № 16–52-00045 bel_a. . - ISSN 0272-8842
Кл.слова (ненормированные):
Dielectric properties -- Ferroelectric properties -- Impedance -- Thermopower -- Electrical properties
Аннотация: The ferroelectric properties of bismuth pyrostannate Bi2(Sn0.85Cr0.15)2O7 in the high-temperature region are established. The linear thermal expansion coefficient, electrical resistance, impedance, I−V characteristics, capacitance, loss-angle tangent, charge, and thermopower of the investigated material are measured in the temperature range of 300−700 K at frequencies of 102−106 Hz. Anomalies of the thermal expansion coefficient and hodograph spectrum variation in the region of polymorphic phase transitions are observed. The high resistance and change of the hopping conductivity for the tunnel-emission are found. The hysteresis in the electric field dependence of polarization is established. The change in the thermopower sign with temperature is revealed. The obtained experimental data are explained in the framework of the model of migration polarization by charged chromium ions.

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Держатели документа:
Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Akademgorodok, 50, Krasnoyarsk, Russian Federation
Siberian State Aerospace University M. F. Reshetnev, Krasnoyarsky Rabochy Av. 31, Krasnoyarsk, Russian Federation

Доп.точки доступа:
Udod, L. V.; Удод, Любовь Викторовна; Sitnikov, M. N.; Аплеснин, Сергей Степанович
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10.

Enhancement of thermoelectric performance in Bi0.5Sb1.5Te3 particulate composites including ferroelectric BaTiO3 nanodots / Y. Cheng, J. Yang, Y. Luo [et al.] // ACS Appl. Mater. Interfaces. - 2022. - Vol. 14, Is. 32. - P. 37204-37212, DOI 10.1021/acsami.2c10424. - Cited References: 40. - This work was supported by the National Natural Science Foundation of China (51772019, 51572098, and 51632006) and the NSFC-Royal Society joint project (51811530307 and IEC\NSFC\170290) . - ISSN 1944-8244
Кл.слова (ненормированные):
thermoelectric -- ferroelectric -- BaTiO3 -- Bi0.5Sb1.5Te3 -- coupling
Аннотация: An increasing number of studies have reported producing composite structures by combining thermoelectric and functional materials. However, combining energy filtering and ferroelectric polarization to enhance the dimensionless figure of merit thermoelectric ZT remains elusive. Here we report a composite that contains nanostructured BaTiO3 embedded in a Bi0.5Sb1.5Te3 matrix. We show that ferroelectric BaTiO3 particles are evenly composited with Bi0.5Sb1.5Te3 grains reducing the concentration of free charge carriers with increasing BaTiO3 content. Additionally, as a result of the energy-filtering effect and ferroelectric polarization, the Seebeck coefficient was improved by ∼10% with a ∼10% improvement in power factors. The BaTiO3 phase can effectively scatters phonons reducing lattice thermal conductivity κl (0.5 W m–1 K–1) and increasing ZT to 1.31 at 363 K in Bi0.5Sb1.5Te3 composites with 2 vol % BaTiO3 content giving an improvement of ∼25% over pure Bi0.5Sb1.5Te3. Our work indicates that the introduction of ferroelectric nanoparticles is an effective method for optimizing the ZT of Bi0.5Sb1.5Te3-based thermoelectric materials.

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Держатели документа:
State Key Laboratory of Materials Processing and Die and Mould Technology, School of Materials Science and Engineering, Huazhong University of Science and Technology, Hubei Province, Wuhan, 430074, China
Kirensky Institute of Physics, Federal Research Center Ksc Sb Ras, Krasnoyarsk, 660036, Russian Federation
Siberian Federal University, Krasnoyarsk, 660036, Russian Federation
School of Engineering, London South Bank University, 103 Borough Road, London, SE1 0AA, United Kingdom
School of Engineering and Materials Science, Queen Mary University of London, Mile End Road, London, E1 4NS, United Kingdom

Доп.точки доступа:
Cheng, Y.; Yang, J.; Luo, Y.; Li, W.; Vtyurin, A. N.; Втюрин, Александр Николаевич; Jiang, Q.; Dunn, S.; Yan, H.
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