Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides

Details Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides Half-metallic ferromagnetism and structural stability of zincblende phases of the transition-metal chalcogenides

2003-08-23

arxiv.org/abs/cond-mat/0308463v1

Phys Rev Lett 91, 037204 (2003)

Physics

Condensed Matter

Materials Science

4 pages with 4 figures included

Scientific paper

10.1103/PhysRevLett.91.037204

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.

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