Abstract
It is predicted with the accurate full-potential density-functional method that the zinc blende (ZB) CrSb phase is a robust half-metallic (HM) ferromagnet with a magnetic moment of per formula. Its HM gap reaches 0.774 eV and persists to be nonzero even when it is compressed by Because the ZB CrSb phase is the best of the three ZB phases that have yet been realized experimentally (and also the best of all ZB transition-metal pnictides) and compatible with the III-V semiconductors, its excellent HM ferromagnetism should be useful in spin electronics and other applications.
- Received 20 February 2003
DOI:https://doi.org/10.1103/PhysRevB.67.172411
©2003 American Physical Society