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Journal article ยท Preprint article

Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory

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Department of Physics, Technical University of Denmark1

The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero external magnetic field. We find that for magnetic (Fe, Co, and Ni) and nonmagnetic (Si and Ge) solids, the exact-exchange current-spin-density functional approach does not significantly improve the accuracy of the corresponding spin-density functional results.

Language: English
Year: 2007
Pages: 4
ISSN: 1550235x , 10980121 and 01631829
Types: Journal article and Preprint article
DOI: 10.1103/PhysRevB.76.100401
Other keywords

cond-mat.mtrl-sci

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