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arXiv 0905.2387cond-mat.mtrl-sci
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MgN:一种新型自旋电子材料

MgN: a new promising material for spintronic applications

A. Droghetti, N. Baadji, S. Sanvito

摘要:

密度泛函理论计算表明,岩盐MgN是一种处于半金属性边缘的磁性材料,其电子结构对强关联和自旋轨道相互作用具有鲁棒性。此外,计算的生成热将化合物描述为亚稳的,并表明它可以通过在生长期间调整Mg和N的相对丰度来制造。有趣的是,平衡晶格常数接近MgO的平衡晶格常数,使得在N掺杂MgO的制造期间,MgN可能形成为夹杂物。然后,我们推测,MgO/MgN系统可能代表一个独特的材料平台,不包括任何过渡金属的磁性隧道结。

英文摘要:

Density functional theory calculations demonstrate that rocksalt MgN is a magnetic material at the verge of half-metallicity, with an electronic structure robust against strong correlations and spin-orbit interaction. Furthermore the calculated heat of formation describes the compound as metastable and suggests that it can be fabricated by tuning the relative Mg and N abundance during growth. Intriguingly the equilibrium lattice constant is close to that of MgO, so that MgN is likely to form as an inclusion during the fabrication of N-doped MgO. We then speculate that the MgO/MgN system may represent a unique materials platform for magnetic tunnel junctions not incorporating any transition metals.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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