2020•Thin Solid FilmsRequires access

Structure, electronic and optical properties of chalcopyrite semiconductor AgTiX2 (X = S, Se, Te): A density functional theory study

Prabhat Ranjan, Pancham Kumar, Praveen K. Surolia, Tanmoy Chakraborty

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Key concepts: HOMO/LUMO, Density functional theory, Band gap, Chemistry, Semiconductor, Raman spectroscopy, Electronic structure, Time-dependent density functional theory

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Structure, electronic and optical properties of chalcopyrite semiconductor AgTiX2 (X = S, Se, Te): A density functional theory study — Research Paper | ScholarLens