Abstract
AbstractWe present a theoretical study with ab initio techniques on magnetic and electronic properties of 3d transition metal mononitrides. We perform the calculations in the wurtzite (w) and the zincblende (zb) structures, and find the tendency of all zb mononitrides to become half‐metallic (HM) under hydrostatic strain. MnN, CrN, and VN become HM with integer magnetic moments of 4, 3 and 2μB, respectively. CrN shows ferromagnetism (FM) throughout the range of our lattice constant calculations, while VN is FM beyond the lattice constant of 4.65 Å. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
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