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- W2000594109 abstract "We present $mathrm{LSDA}+U$ 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 $ensuremath{approx}$$0.4phantom{rule{4.pt}{0ex}}{ensuremath{mu}}_{B}$ 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." @default.
- W2000594109 created "2016-06-24" @default.
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- W2000594109 date "2011-11-18" @default.
- W2000594109 modified "2023-10-10" @default.
- W2000594109 title "Magnon spectrum of transition-metal oxides: Calculations including long-range magnetic interactions using the<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>LSDA</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math>method" @default.
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- W2000594109 doi "https://doi.org/10.1103/physrevb.84.174425" @default.
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