Half-metallic ferromagnetism in wurtzite MC (M = Ca, Sr, Ba and Mg)

Zhang CW; Yan SS

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Half-metallic ferromagnetism in wurtzite MC (M = Ca, Sr, Ba and Mg)

机译：Half-metallic ferromagnetism in wurtzite MC (M = Ca, Sr, Ba and Mg)

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The first-principles full-potential linearized augmented plane-wave method within density-functional theory is used to investigate electronic structure and magnetism of wurtzite (WZ) crystal structure MC (M = Ca, Sr, Ba and Mg). It is shown that the WZ CaC, SrC and BaC are half-metallic ferromagnets with a magnetic moment of 2 mu(B) per formula unit, whereas MgC shows the metallic character. The half-metallicity is also found to be robust with respect to the lattice compression and is maintained up to the lattice constant contraction of 12, 21, and 8 for WZ CaC, SrC and BaC, respectively. The large HM gaps (0.54-0.81 eV) and robustness of half-metallicity with respect to the lattice change make these materials possible candidates for spin injection in spintronic devices.

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来源
《Solid State Communications》 |2009年第10期|387-392|共6页
作者
Zhang CW; Yan SS;
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作者单位

Univ Jinan, Sch Sci, Jinan 250022, Peoples R China.;

Shandong Univ, Sch Phys & Microelect, Jinan 250100, Peoples R China.;

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正文语种英语
中图分类固体物理学;
关键词
Electronic structure; Half-metallic ferromagnetism; First-principles calculation;

Half-metallic ferromagnetism in wurtzite MC (M = Ca, Sr, Ba and Mg)

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