First-principles calculation of (Al,Ga) co-doped ZnO
Sign Up to like & getrecommendations! Published in 2019 at "Computational Condensed Matter"
DOI: 10.1016/j.cocom.2019.e00426
Abstract: Abstract In this study, we present the results of (Al,Ga) co-doped ZnO at various concentrations of Ga using the Density Functional Theory (DFT) within the Full Potential Linearized Augmented Plane Wave (FP-LAPW) formalism. The results… read more here.
Keywords: zno; principles calculation; calculation doped; first principles ... See more keywords
Monte Carlo and Ab-initio calculation of TM (Ti, V, Cr, Mn, Fe, Co, Ni) doped MgH 2 hydride: GGA and SIC approximation
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2016.10.022
Abstract: Abstract MgH 2 : TM (TM: V, Cr, Mn, Fe, Co, Ni) based dilute magnetic semiconductors (DMS) are investigated using first principle calculations. Our results show that the ferromagnetic state is stable when TM introduces… read more here.
Keywords: initio calculation; mgh hydride; monte carlo; doped mgh ... See more keywords