First-Principles Comparative Study of CuFeSe2 and CuFeS2
Abstract In this paper, on the basis of first-principles, the CASTEP module of Materials Studio is used to calculate the band structures and optical properties of CuFeSe2 and CuFeS2 under the PBE pseudopotential of the generalized gradient approximation (GGA). The calculated results show that both C...
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| 主要な著者: | , , , |
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| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
Associação Brasileira de Metalurgia e Materiais (ABM); Associação Brasileira de Cerâmica (ABC); Associação Brasileira de Polímeros (ABPol)
2023-03-01
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| シリーズ: | Materials Research |
| 主題: | |
| オンライン･アクセス: | http://www.scielo.br/scielo.php?script=sci_arttext&pid=S1516-14392023000100236&tlng=en |
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