Ab initio investigation of magnetic transport properties by Wannier interpolation

An efficient ab initio approach for the study of magnetic transport properties is developed based on the Boltzmann equation with the Wannier interpolation scheme. Using this method, we can investigate magnetoresistance [1], low field Hall coefficient, anomalous Hall effect, orbit magnetization, cyclotron motion and the effective mass, etc. As a typical application of this method, we present the band-resolved electric conductivities of MgB$_{2}$ under finite magnetic fields, multiband characters for the individual bands are revealed. Combined with experimental result, fully band resolved scattering rate for each band was obtained for MgB$_{2}$. It seems that the scattering from el-ph coupling or impurities affects the $\pi _{1}$ band more weakly [2]. \\[4pt] [1] Yi Liu, Hai-Jun Zhang, and Yugui Yao, Phys. Rev. B 79, 245123 (2009); \\[0pt] [2] H. Yang, et al. Phys. Rev. Lett 101, 067001 (2008).