Calculation of magnetic properties of metals by means of the magnetic-field-containing relativistic tight-binding approximation method

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 91, 075122 (2015)]. It is found that electronic energy bands for a metal immersed in a uniform magnetic field have a cluster structure in which multiple energy bands lie within a small energy width. Each cluster corresponds to an 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 that are not explained by the conventional Lifshitz-Kosevich formula. 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.ArticlePHYSICAL REVIEW B. 95(19):195153 (2017)journal articl