Magnetoresistance from Fermi surface topology

In this work, we investigate the transverse magnetoresistance of materials by combining the Fermi surfaces calculated from first principles with the Boltzmann transport theory approach relying on the semiclassical model and the relaxation time approximation. We first consider a series of simple model Fermi surfaces to provide a didactic introduction into the charge-carrier compensation and open-orbit mechanisms leading to nonsaturating magnetoresistance. We then address in detail magnetotransport in three representative materials: (i) copper, (ii) bismuth, and (iii) tungsten diphosphide. Furthermore, the calculations allow for a full interpretation of the observed features in terms of the Fermi surface topology. Our study thus establishes guidelines to clarifying the physical mechanisms underlying the magnetotransport properties in a broad range of materials.

本研究结合第一性原理计算得到的费米面（Fermi surface），与基于半经典模型和弛豫时间近似的玻尔兹曼输运理论方法，探究材料的横向磁阻特性。我们首先选取一系列简化模型费米面，以教学式的方式引入载流子补偿与开放轨道这两类导致非饱和磁阻的物理机制。随后我们详细分析三种典型材料中的磁输运特性：(i) 铜，(ii) 铋，(iii) 二磷化钨。此外，本研究的计算结果可基于费米面拓扑对实验观测到的输运特征进行完整阐释。综上，本研究可为阐明广泛材料体系中磁输运特性背后的物理机制提供指导性框架。