Calculation of Magnetic oscillations via the magnetic-field-containing relativistic tight-binding approximation method: Revisit of the de Haas-van Alphen effect
Calculation of Magnetic oscillations via the magnetic-field-containing relativistic tight-binding approximation method: Revisit of the de Haas-van Alphen effect
复制标题
通过包含磁场的相对论紧束缚近似方法计算磁振荡：重新审视德哈斯-范阿尔芬效应
DOI：
10.1103/physrevb.91.245101
复制
发表时间：
2015
期刊：
影响因子：
--
通讯作者：
and K. Higuchi
中科院分区：
文献类型：
--
作者：
D. B. Hamal;M. Higuchi;and K. Higuchi
含磁场相对论紧束缚近似（MFRTB）方法[物理学报]。PRBMDO1098-012110.1103/PhysRevB.91.075122]是沉浸在磁场中的材料电子结构的第一性原理计算方法。本文将MFRTB方法应用于浸没在磁场中的简单立方晶格。总能量和磁化强度与磁场大小成反比振荡，这意味着通过MFRTB方法可以直接重测de Haas-van Alphen振荡。结果表明，在实验可用的磁场范围内，传统的Lifshitz-Kosevich （LK）公式能很好地逼近MFRTB方法的结果。此外，磁化强度的附加振荡峰尤其在高磁场中出现，这是无法用LK公式解释的。
The magnetic-field-containing relativistic tight-binding approximation (MFRTB) method [Phys. Rev. B 91, 075122 (2015)PRBMDO1098-012110.1103/PhysRevB.91.075122] is the first-principles calculation method for electronic structures of materials immersed in the magnetic field. In this paper, the MFRTB method is applied to the simple cubic lattice immersed in the magnetic field. The total energy and magnetization oscillate with the inverse of the magnitude of the magnetic field, which means that the de Haas–van Alphen oscillation is revisited directly through the MFRTB method. It is shown that the conventional Lifshitz-Kosevich (LK) formula is a good approximation to the results of the MFRTB method in the experimentally available magnetic field. Furthermore, the additional oscillation peaks of the magnetization are found especially in the high magnetic field, which cannot be explained by the LK formula.