A study of CR doping on the structural and electronic properties of zno: a first principles study
作者： Bakhtiar Ul Haq , R. Hussain , A. Shaari , R. Ahmed , A. Afaq
DOI:
关键词: Density of states 、 Magnetic semiconductor 、 WIEN2k 、 Doping 、 Condensed matter physics 、 Materials science 、 Plane wave 、 Local-density approximation 、 Density functional theory 、 Electronic band structure
摘要: The central theme of nanotechnology to miniaturize devices has stimulated interest in diluted magnetic semiconductors (DMS). DMS that simultaneously exhibit and semiconducting behavior are capable parting properties two different function into one. In this research we present our first principles investigations related the structural electronic of, Cr doped zinc-blende (ZB) ZnO, DMS. These calculations carried out using full potential linearized augmented plane wave plus local orbital (FP-L(APW+lo)) with generalized gradient approximations approach as implemented WIEN2k code. study, effect doping on lattice parameters, spin polarized band structure, density states (DOS) ZnO is presented analyzed detail.
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