An accurate density-functional method is used to study systematically half-metallic ferromagnetism and stability of zincblende phases of $3d$–transition-metal chalcogenides. The zincblende CrTe, CrSe, and VTe phases are found to be excellent half-metallic ferromagnets with large half-metallic gaps (up to 0.88 eV). They are mechanically stable and approximately 0.31–0.53 eV per formula unit higher in total energy than the corresponding nickel-arsenide ground-state phases, and therefore would be grown epitaxially in the form of films and layers thick enough for spintronic applications.

• Received 18 March 2003

DOI:https://doi.org/10.1103/PhysRevLett.91.037204