Calculation of magnetic properties of metals by means of the magnetic-field-containing relativistic tight-binding approximation method
Calculation of magnetic properties of metals by means of the magnetic-field-containing relativistic tight-binding approximation method
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含磁场相对论紧束缚近似法计算金属磁性能
DOI：
10.1103/physrevb.95.195153
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发表时间：
2016
影响因子：
3.7
通讯作者：
K. Higuchi
中科院分区：
文献类型：
--
作者：
M. Higuchi;K. Higuchi
通过基于最近提出的包含磁场的相对论紧束缚近似（MFRTB）方法的电子结构计算来研究金属的磁性。修订版 B \textbf{91}, 075122 (2015)]。研究发现，浸没在均匀磁场中的金属的电子能带具有簇结构，其中多个能带分布在较小的能量宽度内。每个簇对应于基于半经典近似得出的能级。虽然该团簇负责德哈斯-范阿尔芬 (dHvA) 振荡，但该团簇的组成能带会引起额外的磁化振荡峰值。此外，团簇的能量宽度导致 dHvA 振荡幅度的减小，这可以通过伪丁格尔温度和/或费米表面曲率的高估来观察。
Magnetic properties of metals are investigated through electronic structure calculations based on the recently-proposed magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B \textbf{91}, 075122 (2015)]. It is found that electronic energy bands for the metal immersed in the uniform magnetic field have a cluster structure in which multiple energy bands lie within a small energy width. Each cluster corresponds to the energy level that is derived on the basis of the semiclassical approximation. While the cluster is responsible for the de Haas-van Alphen (dHvA) oscillations, constituent energy bands of the cluster cause additional oscillation peaks of the magnetization. Also, the energy width of the cluster leads to the reduction of the amplitude of the dHvA oscillations, which can be observed as the pseudo Dingle temperature and/or the overestimation of the curvature of the Fermi surface.