arXivDaily arXiv每日学术速递 周一至周五更新
arXiv 1503.08940cond-mat.str-elcond-mat.mtrl-sci
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钆磁性的第一性原理研究

Magnetism of gadolinium: a first-principles perspective

László Oroszlány, András Deák, Sergeii Khmelevskyi, László Szunyogh

摘要:

通过计算铁磁(FM)基态和高温顺磁(PM)相的态谱密度,首次简要研究了有限温度对金属钆体相和表面电子结构的影响。费米表面的计算光谱特性的变化和状态的密度在体和在表面上是在最近的光电子实验中进行的铁磁和顺磁相很好的协议。在顺磁状态下,我们发现消失的导带自旋分裂,但有限的本地自旋矩在体和表面。我们清楚地表明,这些局部自旋力矩的导带中的形成是由于在两个自旋通道的态密度的不对称性,这表明一个复杂的,非斯通纳行为。因此,我们认为,自旋分裂的光谱特征的消失或几乎消失不能作为一个指标的斯通磁性。

英文摘要:

By calculating the spectral density of states in the ferromagnetic (FM) ground state and in the high temperature paramagnetic (PM) phase we provide the first concise study of finite temperature effects on the electronic structure of the bulk and the surface of gadolinium metal. The variation of calculated spectral properties of the Fermi surface and the density of states in the bulk and at the surface are in good agreement with recent photoemission experiments performed in both ferromagnetic and paramagnetic phases. In the paramagnetic state we find vanishing spin splitting of the conduction band, but finite local spin moments both in bulk and at the surface. We clearly demonstrate that the formation of these local spin moments in the conduction band is due to the asymmetry of the density of states in the two spin channels, suggesting a complex, non-Stoner behavior. We, therefore, suggest that the vanishing or nearly vanishing spin splitting of spectral features cannot be used as an indicator for Stoner-like magnetism.

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