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First principles study on electronic and optical properties of quinary copper-based sulfides and selenides Cu2HgGe(S1-xSex)4

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In this paper, the band gap as well as other electronic properties of Cu2HgGe(S1- xSex)4 was for the first time studied by HSE06 method [25]. Despite the fact that HSE06 method usually un- derestimates the band gap of semiconductor, it can give good prediction optical properties [22, 26]. |

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