Abstract
We present LSDA+U calculations of the magnon frequencies of transition-metal monoxides (TMOs) using the frozen magnon approach. We systematically vary U to investigate the effect of the on-site Coulomb repulsion on various properties such as the gap, the magnetic moment, and the magnon energies. For all TMOs, a similar behavior of the gap and moment with respect to U is found: the gaps start to increase linear and saturate for large U. The moment is enhanced by ∼0.4μB towards the pure spin limit. Magnon energies are strongly suppressed on increasing the on-site Coulomb repulsion. The reason for this behavior is related to charge localization.
Original language | American English |
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Article number | 174425 |
Journal | Physical Review B - Condensed Matter and Materials Physics |
Volume | 84 |
Issue number | 17 |
DOIs | |
State | Published - 18 Nov 2011 |
Externally published | Yes |