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Ab initio calculation of the anomalous Hall conductivity by Wannier interpolation

Abstract:

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 the Brillouin zone at millions of k -points to converge the calculation. We present an efficient first-principles approach for computing this quantity. We start out by performing a conventional electronic-structure calculation including spin-orbit coupling on a uniform and relatively coarse k -poi...

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Publication status:
Published

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Publisher copy:
10.1103/PhysRevB.74.195118

Authors


Journal:
PHYSICAL REVIEW B
Volume:
74
Issue:
19
Publication date:
2006-11-05
DOI:
EISSN:
1550-235X
ISSN:
1098-0121
URN:
uuid:dd915113-1671-478f-950f-a7280e20b404
Source identifiers:
178436
Local pid:
pubs:178436
Language:
English

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