Effect of the Order-Disorder Transition on the Electronic Structure and Physical Properties of Layered CuCrS2 Full article
| Journal |
Materials
ISSN: 1996-1944 |
||
|---|---|---|---|
| Output data | Year: 2021, Volume: 14, Number: 11, Article number : 2729, Pages count : 9 DOI: 10.3390/ma14112729 | ||
| Tags | layered copper-chromium disulfide; Seebeck coefficient; electrical resistivity; order-disorder transition; DSC; DFT | ||
| Authors |
|
||
| Affiliations |
|
Abstract:
The work reports a comprehensive study of the Seebeck coefficient, electrical resistivity and heat capacity of CuCrS2 in a wide temperature range of 100–740 K. It was shown that the value of the Seebeck coefficient is significantly affected by the sample treatment procedure. The order-to-disorder (ODT) phase transition was found to cause a metal-insulator transition (MIT). It was established that the ODT diminishes the Seebeck coefficient at high temperatures (T > 700 K). The DFT calculations of the CuCrS2 electronic structure showed that the localization of copper atoms in octahedral sites makes the band gap vanish due to the MIT. The decrease of CuCrS2 electrical resistivity in the ODT temperature region corresponds to the MIT.
Cite:
Korotaev E.V.
, Syrokvashin M.M.
, Filatova I.Y.
, Sotnikov A.V.
Effect of the Order-Disorder Transition on the Electronic Structure and Physical Properties of Layered CuCrS2
Materials. 2021. V.14. N11. 2729 :1-9. DOI: 10.3390/ma14112729 WOS Scopus РИНЦ OpenAlex
Effect of the Order-Disorder Transition on the Electronic Structure and Physical Properties of Layered CuCrS2
Materials. 2021. V.14. N11. 2729 :1-9. DOI: 10.3390/ma14112729 WOS Scopus РИНЦ OpenAlex
Identifiers:
| Web of science: | WOS:000660262900001 |
| Scopus: | 2-s2.0-85106969942 |
| Elibrary: | 46779477 |
| OpenAlex: | W3160956778 |