Monte Carlo and Ab-initio calculation of TM (Ti, V, Cr, Mn, Fe, Co, Ni) doped MgH 2 hydride: GGA and SIC approximation
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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