Structural, electronic and optical studies of Sr2NiTeO6 double perovskite by first-principle DFT–LDA + U calculation
The structural, electronic and optical properties of monoclinic Sr2NiTeO6 double perovskite have been studied using corrected density functional theory–local density approximation with applying of Hubbard U corrected energy (DFT–LDA + U) method in plane-wave pseudopotential basis. The influence of o...
| Published in: | Journal of Materials Research and Technology |
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| Main Author: | |
| Format: | Article |
| Language: | English |
| Published: |
Elsevier Editora Ltda
2022
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| Online Access: | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85128275541&doi=10.1016%2fj.jmrt.2022.03.017&partnerID=40&md5=4b6c757c343d9a58dc175cdfc5537618 |