Тип публикации: статья из журнала

Год издания: 2022

Идентификатор DOI: 10.3390/molecules27165078

Ключевые слова: band structure, crystal growth, dft, liinse2, thermal expansion, xps

Аннотация: Optical quality cm-sized LiInSe2 crystals were grown using the Bridgman-Stockbarger method, starting from pure element reagents, under the conditions of a low temperature gradient of 5-6 degrees/cm and a slight melt overheating. The phase purity of the grown crystal was verified by the powder XRD analysis. The thermophysical characПоказать полностьюteristics of LiInSe2 were determined by the XRD measurements in the temperature range of 303-703 K and strong anisotropy of the thermal expansion coefficients was established. The following values of thermal expansion coefficients were determined in LiInSe2: αa = 8.1 (1), αb = 16.1 (2) and αc = 5.64 (6) MK-1. The electronic structure of LiInSe2 was measured by X-ray photoelectron spectroscopy. The band structure of LiInSe2 was calculated by ab initio methods.

Журнал: Molecules (Basel, Switzerland)

Выпуск журнала: Vol. 27, Is. 16

ISSN журнала: 14203049

Издатель: NLM (Medline)

• Atuchin V.V. (Laboratory of Optical Materials and Structures, Institute of Semiconductor Physics, SB RAS, Novosibirsk, 630090, Russian Federation, Department of Applied Physics, Novosibirsk State University, Novosibirsk, 630090, Russian Federation, Research and Development Department, Kemerovo State University, Kemerovo, 650000, Russian Federation, Department of Industrial Machinery Design, Novosibirsk State Technical University, Novosibirsk, 630073, Russian Federation, R&D Center "Advanced Electronic Technologies", Tomsk State University, Tomsk, 634034, Russian Federation)
• Isaenko L.I. (Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation, Laboratory of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation)
• Lobanov S.I. (Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation, Laboratory of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation)
• Goloshumova A.A. (Laboratory of Crystal Growth, Sobolev Institute of Geology and Mineralogy, SB RAS, Novosibirsk, 630090, Russian Federation, Laboratory of Functional Materials, Novosibirsk State University, Novosibirsk, 630090, Russian Federation)
• Molokeev M.S. (Laboratory of Crystal Physics, Kirensky Institute of Physics, Federal Research Center KSC SB RAS, Krasnoyarsk, 660036, Russian Federation, Institute of Engineering Physics and Radioelectronic, Siberian Federal University, Krasnoyarsk, 660041, Russian Federation, Department of Physics, Far Eastern State Transport UniversityKhabarovsk 680021, Russian Federation)
• Zhang Z. (Australian Science and Technology Organisation (ANSTO), Lucas Heights, Australia)
• Zhang X. (Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China, University of the Chinese Academy of SciencesBeijing 100049, China)
• Jiang X. (Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China)
• Lin Z. (Functional Crystals Laboratory, Technical Institute of Physics and Chemistry, Chinese Academy of SciencesBeijing 100190, China, University of the Chinese Academy of SciencesBeijing 100049, China)

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