期刊
PHYSICS LETTERS A
卷 359, 期 4, 页码 326-329出版社
ELSEVIER
DOI: 10.1016/j.physleta.2006.06.052
关键词
first-principle calculation; electronic structure; half-metallic ferromagnetism
The first-principle calculations have been performed to investigate the zinc-blende compounds of alkaline elements with the Bi atom to find new half-metallic ferromagnets. It is found that CaBi, SrBi and BaBi are true half-metallic ferromagnets with the magnetic moment of 1 mu(B)/formula unit. Their half-metallicity can be maintained within a wide range of lattice constants. (c) 2006 Elsevier B.V. All rights reserved.
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