Abstract
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.
Original language | American English |
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Article number | 100401 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 76 |
Issue number | 10 |
DOIs | |
State | Published - 4 Sep 2007 |
Externally published | Yes |