Calculations of Magnetic properties of metals through the magnetic-field-containing relativistic tight-binding approximation method

TL;DR

This paper uses a relativistic tight-binding approximation method to analyze the magnetic properties of metals, revealing cluster structures in energy bands that influence oscillation phenomena like the de Haas-van Alphen effect.

Contribution

It introduces the MFRTB method for calculating magnetic properties, showing how energy band clusters affect magnetization oscillations in metals.

Findings

Energy bands form cluster structures in magnetic fields.

Clusters cause additional oscillation peaks in magnetization.

Cluster energy width reduces dHvA oscillation amplitude.

Abstract

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.