Ab initio investigation of magnetic transport properties by Wannier interpolation

  title={Ab initio investigation of magnetic transport properties by Wannier interpolation},
  author={Yi Liu and Hai-Jun Zhang and Yugui Yao},
  journal={Bulletin of the American Physical Society},
We present an efficient ab initio approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation-time approximation, band-resolved electric conductivity under a finite magnetic field is obtained and the historical motion of the electron wave packet in reciprocal space is determined. As a typical application of this method, we have calculated the electric conductivities of MgB(2) under finite magnetic fields… 
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