Emerging half metal electrides in manganese oxyarsenide hydrides LaMnAsO 1−x H x

Abstract

Abstract In the paper, we report that the hydrides LaMnAsO 1 − x H x can serve as a switchable half-metal electride which combines the dual properties of half metals and electrides. Using density functional theory calculations, it is found that this hydride compounds exhibit a novel magnetic structure in which magnetic electrides arising from the excess electrons induced by the H dopants coexist with local-moment antiferromagnetism of the Mn spin lattice. While the reported sizable negative magnetoresistance and ferromagnetism are merely contributed by the spin polarization of excess electrons, this material mimics the behavior of a switchable half-metal electride because the completely spin polarization of excess electrons is easily achieved by controlling the concentration of conductive electrons or H dopants. These effects look very promising for continuing the rapid pace of spintronics application.