Anisotropic Thermal Expansion and Electronic Structure of LiInSe2

MOLECULES(2022)

引用 9|浏览11
暂无评分
摘要
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: alpha(a) = 8.1 (1), alpha(b) = 16.1 (2) and alpha(c) = 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.
更多
查看译文
关键词
LiInSe2, crystal growth, thermal expansion, band structure, XPS, DFT
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要