Negative thermal expansion and electronic structure variation of chalcopyrite type LiGaTe₂.

ABSTRACT: The LiGaTe₂ crystals up to 5 mm in size were grown by the modified Bridgman-Stockbarger technique and the cell parameter dependence on temperature in the range of 303-563 K was evaluated by the X-ray diffraction analysis. The thermal behavior of LiGaTe₂ is evidently anisotropic and a negative thermal expansion is found along crystallographic direction c with coefficient -8.6 × 10^-6. However, the normal thermal expansion in two a directions with coefficient 19.1 × 10^-6 is dominant providing unit cell volume increase on heating. The atomic mechanism is proposed to describe this pronounced anisotropic expansion effect. The electronic structure of LiGaTe₂ is measured by X-ray photoelectron spectroscopy and the band structure

SUBMITTER: Atuchin VV 

PROVIDER: S-EPMC9078859 | biostudies-literature | 2018 Mar

REPOSITORIES: biostudies-literature