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arXiv 0903.2228cond-mat.mtrl-scicond-mat.other
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Co2MnSi(001)/ MgO异质结构的结构稳定性、磁性和电子性质的密度泛函理论研究

Structural stability, magnetic and electronic properties of Co2MnSi(001)/MgO heterostructures: A density functional theory study

B. Hülsen, M. Scheffler, P. Kratzer

摘要:

对与隧道磁阻(TMR)器件相关的外延Co_2MnSi(001)/MgO(001)界面进行了计算研究。采用从头算原子热力学,我们表明,批量终止Co2 MnSi的Co或MnSi平面形成稳定的界面,而纯Si或纯Mn终止需要非平衡条件。除纯Mn界面外,Co_2MnSi体相的半金属性质被界面带所破坏。即便如此,在均匀的Mn或Co界面处,这些能带对通过MgO势垒的少数自旋电导贡献很小,因此这样的终止在TMR器件中可以表现得很强。

英文摘要:

A computational study of the epitaxial Co2MnSi(001)/MgO(001) interface relevant to tunneling magnetoresistive (TMR) devices is presented. Employing ab initio atomistic thermodynamics, we show that the Co- or MnSi-planes of bulk-terminated Co2MnSi form stable interfaces, while pure Si or pure Mn termination requires non-equilibrium conditions. Except for the pure Mn interface, the half-metallic property of bulk Co2MnSi is disrupted by interface bands. Even so, at homogeneous Mn or Co interfaces these bands contribute little to the minority-spin conductance through an MgO barrier, and hence such terminations could perform strongly in TMR devices.

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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