The lattice distortion effect for zinc-blende CrAs and CrSb

Keita Yamana, Masaaki Geshi, Hidekazu Tsukamoto, Ichiro Uchida, Masafumi Shirai, Koichi Kusakabe, Naoshi Suzuki

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)


We investigated the stability of the ferromagnetism of CrAs and CrSb in the zinc-blende structure against the lattice distortion, systematically. A calculation within the generalized gradient approximation using a full potential linearized augmented plane wave method was performed. We compared the ferromagnetic state and the antiferromagnetic state assuming tetragonal distortion with the lattice constants a and c changing independently and determined the spin polarization ratio in the ferromagnetic phase. The result shows that complete spin polarization (half-metallic ferromagnetism) remains stable even in the presence of large tetragonal distortion. On the other hand, our calculation shows that two monolayers of CrAs is enough to produce a half-metallic state in the CrAs/GaAs multilayer. Thus, the present result suggests that the half-metallic nature persists in various atomic-scale superlattices made of distorted CrAs or CrSb.

Original languageEnglish
Pages (from-to)S5815-S5818
JournalJournal of Physics Condensed Matter
Issue number48
Publication statusPublished - 2004 Dec 8


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