| Autor: |
Kada Boualem, Karima Benyahia, Nabil Beloufa, Abdelkader Bouhenna, Samir Bekheira, Charef Abbes, Souheil Belbachir |
| Jazyk: |
angličtina |
| Rok vydání: |
2024 |
| Předmět: |
|
| Zdroj: |
Annals of West University of Timisoara: Physics, Vol 66, Iss 1, Pp 62-75 (2024) |
| Druh dokumentu: |
article |
| ISSN: |
2784-1057 |
| DOI: |
10.2478/awutp-2024-0005 |
| Popis: |
In this paper, we have performed first-principles calculations on the structural and optoelectronic properties of Cu2GeS3 compound in the Cc and Imm2 structures. We have applied the linear augmented plane wave method for all electrons (FPLAPW), which is based on density functional theory (DFT) by using the local density approximation (LDA) and the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation (GGA). In addition, the modified Becke Johnson Tran and Blaha potential (TB-mBJ) combined with the Hubbard potential (U), which successfully corrects the band gap problem. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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