DFT and modified Becke Johnson (mBJ) potential investigations of the optoelectronic properties of SnGa4Q7 (Q聽=聽S, Se) compounds: Transparent materials for large energy conversion
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- 作者：Wilayat Khana ; Sikander Azama ; Fahad Ali Shahb ; Souraya Goumri-Saidc ; d ; Souraya.Goumri-Said@chemistry.gatech.edu" class="auth_mail" title="E-mail the corresponding author ; sosaid@alfaisal.edu" class="auth_mail" title="E-mail the corresponding author
- 关键词：Chalcogenides ; Semiconductors ; Electronic structure ; Optical properties ; Energy storage
- 刊名：Solid State Sciences
- 出版年：2015
- 出版时间：October 2015
- 年：2015
- 卷：48
- 期：Complete
- 页码：244-250
- 全文大小：2760 K
文摘
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New ternary non-centrosymmetric compounds, SnGa4S7 and SnGa4Se7 are studied.
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FPLAPW is used for calculating the optoelectronic structure.
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These chalcogenides are semiconductors and transparent in the MIR zone.
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SnGa4S7 and SnGa4Se7 compounds can be used for the energy conversion and optoelectronic devices.