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arXiv 0909.1825cond-mat.mtrl-sci
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机械应力下阻挫磁体的自旋密度:Mn基反钙钛矿

Spin density in frustrated magnets under mechanical stress: Mn-based antiperovskites

Pavel Lukashev, Renat F. Sabirianov, Kirill Belashchenko

摘要:

本文计算了具有阻挫三角形磁性结构的Mn基反钙钛矿化合物(Mn_{3} AN(A=Ga,Zn))在基态和外加机械应变下的非共线自旋密度分布.我们表明,在(111)平面的单位晶胞的自旋密度形成一个“域”结构周围的每个原子的网站,但它有一个更复杂的结构比刚性自旋模型的均匀分布,即Mn原子在(111)平面形成非均匀的“自旋云”,与这些“域”的形状和大小的函数的应变。我们发现,在压缩和拉伸应变下的自旋密度的大小和方向的变化,和“自旋域”的取向与应变的反转,即切换压缩到拉伸应变(反之亦然)的结果在“反转”的域。我们分析了原子内的自旋交换相互作用及其对自旋密度分布的影响。特别是,我们表明,在机械应力下的系统中的原子球内的自旋密度依赖于电子态的本地化程度。

英文摘要:

In this paper we present results of our calculations of the non-collinear spin density distribution in the systems with frustrated triangular magnetic structure (Mn-based antiperovskite compounds, Mn_{3}AN (A=Ga, Zn)) in the ground state and under external mechanical strain. We show that the spin density in the (111)-plane of the unit cell forms a "domain" structure around each atomic site but it has a more complex structure than the uniform distribution of the rigid spin model, i.e. Mn atoms in the (111)-plane form non-uniform "spin clouds", with the shape and size of these "domains" being function of strain. We show that both magnitude and direction of the spin density change under compressive and tensile strains, and the orientation of "spin domains" correlates with the reversal of the strain, i.e. switching compressive to tensile strain (and vice versa) results in "reversal" of the domains. We present analysis for the intra-atomic spin-exchange interaction and the way it affects the spin density distribution. In particular, we show that the spin density inside the atomic sphere in the system under mechanical stress depends on the degree of localization of electronic states.

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