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Wannier-based calculation of the orbital magnetization in crystals
M. G. Lopez, David Vanderbilt, T. Thonhauser +1
We present a first-principles scheme that allows the orbital magnetization of a magnetic crystal to be evaluated accurately and efficiently even in the presence of complex Fermi su…
Maximally localized Wannier functions: Theory and applications
Nicola Marzari, Arash A. Mostofi, Jonathan R. Yates +2
The electronic ground state of a periodic system is usually described in terms of extended Bloch orbitals, but an alternative representation in terms of localized "Wannier function…
The role of spin-flip transitions in the anomalous Hall effect of FePt alloy
Hongbin Zhang, Frank Freimuth, Stefan Blügel +2
We carry out first-principles calculations which demonstrate the importance of the non-spin-conserving part of the spin-orbit interaction for the intrinsic anomalous Hall conductiv…
Orbital magnetoelectric coupling at finite electric field
Andrei Malashevich, David Vanderbilt, Ivo Souza
We extend the band theory of linear orbital magnetoelectric coupling to treat crystals under finite electric fields. Previous work established that the orbital magnetoelectric resp…