TY - JOUR
T1 - Magnon spectrum of transition-metal oxides
T2 - Calculations including long-range magnetic interactions using the LSDA+U method
AU - Essenberger, F.
AU - Sharma, S.
AU - Dewhurst, J. K.
AU - Bersier, C.
AU - Cricchio, F.
AU - Nordström, L.
AU - Gross, E. K.U.
PY - 2011/11/18
Y1 - 2011/11/18
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=82455217250&partnerID=8YFLogxK
U2 - 10.1103/PhysRevB.84.174425
DO - 10.1103/PhysRevB.84.174425
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AN - SCOPUS:82455217250
SN - 1098-0121
VL - 84
JO - Physical Review B - Condensed Matter and Materials Physics
JF - Physical Review B - Condensed Matter and Materials Physics
IS - 17
M1 - 174425
ER -