# Ab initio investigation of magnetic transport properties by Wannier interpolation

@article{Liu2009AbII, 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}, year={2009} }

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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## References

SHOWING 1-10 OF 36 REFERENCES

Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation

- Physics
- 2006

The intrinsic anomalous Hall conductivity in ferromagnets depends on subtle spin-orbit-induced effects in the electronic structure, and recent ab initio studies found that it was necessary to sample…

Spectral and Fermi surface properties from Wannier interpolation

- Physics
- 2007

We present an efficient first-principles approach for calculating Fermi surface averages and spectral properties of solids, and use it to compute the low-field Hall coefficient of several cubic…

Probing the electron-phonon coupling in MgB2 through magnetoresistance measurements in neutron irradiated thin films

- Materials Science, Physics
- 2007

We report magnetoresistance (MR) measurements on MgB2 and the corresponding full account from ab initio calculations; we suggest that this combination can be a useful tool to probe electron-phonon…

Fully band-resolved scattering rate in MgB2 revealed by the nonlinear hall effect and magnetoresistance measurements.

- Materials Science, MedicinePhysical review letters
- 2008

By fitting the data to the theoretical model based on the Boltzmann equation and ab initio calculations for a four-band system, for the first time, the scattering rates of these four bands at different temperatures and magnitude of disorders are derived.

MAGNETORESISTANCE OF A TWO-DIMENSIONAL ELECTRON GAS WITH SPATIALLY PERIODIC LATERAL MODULATIONS : EXACT CONSEQUENCES OF BOLTZMANN'S EQUATION

- Physics
- 1998

On the basis of Boltzmann's equation, including anisotropic scattering in the collision operator, we investigate the effect of one-dimensional superlattices on two-dimensional electron systems. In…

The Theory of the Change in Resistance in a Magnetic Field

- Physics
- 1934

The resistance of a metal is in general increased by a magnetic field. For sufficiently small magnetic fields this dependence may, of course, be expressed by the equation ∆R/R = BH2. The calculation…

Generalized Gradient Approximation Made Simple.

- Physics, MedicinePhysical review letters
- 1996

A simple derivation of a simple GGA is presented, in which all parameters (other than those in LSD) are fundamental constants, and only general features of the detailed construction underlying the Perdew-Wang 1991 (PW91) GGA are invoked.

Large anisotropic normal-state magnetoresistance in clean MgB2 thin films.

- Materials Science, MedicinePhysical review letters
- 2006

We report a large normal-state magnetoresistance with temperature-dependent anisotropy in very clean epitaxial MgB2 thin films (residual resistivity much smaller than 1 microOmega cm) grown by hybrid…

Guiding-center-drift resonance in a periodically modulated two-dimensional electron gas.

- Physics, MedicinePhysical review letters
- 1989

The magnetoresistance oscillation induced by a potential grating is due to a resonance in the Ex B drift of the cyclotron orbit (guiding) center, and a detailed systematic transport theory is developed, based on the semiclassical Boltzmann equation in the relaxation-time approximation.

Anisotropic resistivity and hall effect in MgB2 single crystals

- Materials Science, Physics
- 2002

We report resistivity and the Hall-effect measurements in the normal and superconducting states of MgB 2 single crystals. The resistivity has been found to be anisotropic with slightly…