Electronic band structure and optical parameters of spinel SnMg 2O 4 by modified Becke - Johnson potential

• 主要な著者: Yousaf, Masood, Saeed, Mohammad Alam, Mat Isa, Ahmad Radzi, Shaari, Amiruddin, Rahnamaye Aliabad, H. A.
• フォーマット: 論文
• 出版事項: Chinese Physical Society and IOP Publishing 2012
• 主題: QC Physics
• オンライン･アクセス: http://eprints.utm.my/id/eprint/33518/; http://dx.doi.org/10.1088/0256-307X/29/10/107401

The electronic band structure and optical parameters of SnMg 2O 4 are investigated by the first-principles technique based on a new potential approximation known as modified Becke - Johnson (mBJ). The direct band gap values by LDA, GGA and EV-GGA are underestimated significantly as compared to mBJ-G...