First-principles study on the half-metallicity of CsN alloy (001) surface

Density functional study of CaN monolayer on Si(001)

“…Although, first-principles computations confirm persistence of bulk half-metallicity at the free surfaces of some binary p ferromagnets including (111), (110) and (001) surfaces of NaS [14] and (001) surface of CsN [15], thin film hetero-junctions involving p ferromagnets are rarely studied. Recently, we studied interface of CaN with metallic Cu(001) thin film and argued feasibility of ferromagnetism in this junction [16].…”