First-principles investigation of the structural, electronic, magnetic and optical properties of magnetic semiconducting alloys Zn1-xNixO in the zinc-blende, rocksalt and wurtzite phase
n this study, using spin-polarized density functional theory (DFT) calculations, a detailed investigation is conducted into the structural, electronic, magnetic and optical properties of Zn1–xNixO ternary alloys in the wurtzite, zinc-blende and rocksalt crystal phases. The calculated lattice parameters show a a slight...