Structural, electronic and optical properties of AgXY 2 (X = Al, Ga, In and Y = S, Se, Te)
Naeem Ullah, Haleem Ud Din, Ghulam Murtaza, Tarik Ouahrani, R. Khenata, Naeem Ullah, S. Bin Omran
Abstract
Naeem Ullah, Haleem Ud Din, Ghulam Murtaza, Tarik Ouahrani, R. Khenata, Naeem Ullah, S. Bin Omran
Abstract
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Key concepts: Band gap, Lattice constant, Density functional theory, Ternary operation, Electronic band structure, Local-density approximation, Chalcopyrite, Materials science