Anisotropic Thermal Expansion and Electronic Structure of LiInSe2

Victor V. Atuchin, Ludmila I. Isaenko, Sergei I. Lobanov, Alina A. Goloshumova, Maxim S. Molokeev, Zhaoming Zhang, Xingyu Zhang, Xingxing Jiang, Zheshuai Lin

Результат исследования: Научные публикации в периодических изданияхстатьярецензирование

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 characteristics 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.

Язык оригиналаанглийский
Номер статьи5078
ЖурналMolecules (Basel, Switzerland)
Том27
Номер выпуска16
DOI
СостояниеОпубликовано - 10 авг. 2022

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