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Author: search.filters.author.Techitdheera, WicharnSubject: search.filters.subject.LSDA+U

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    Coulomb and exchange interaction effect on magnetic properties of MnO
    (2012-01-01)
    Thassana, Chewa
    ;
    Techitdheera, Wicharn
    This calculation focus on the effect of Coulomb interaction U and exchange interaction J on spin magnetic moment M <inf>s</inf> of MnO by using the local spin density approximation plus the Coulomb interaction (LSDA+U) method within full potential linear muffin-tin orbital (FP-LMTO). Our calculated results indicated that the spin magnetic moments correlated to U and J. The relevant results exhibited the increasing spin magnetic moments with increasing Coulomb interaction and exchange interaction. Furthermore, equation of spin magnetic moments, which good correspondence to the experimental data, were obtained and the relation of U and J parameter was defined. © (2012) Trans Tech Publications, Switzerland.
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    The Coulomb interaction and volume compression effect on spin and orbital magnetic moment of NiO
    (2011-12-01)
    Thassana, Chewa
    ;
    Techitdheera, Wicharn
    This calculation focuses on the effect of the Coulomb interaction U and the volume compression (VC) on both spin (m <inf>s</inf>) and orbital (m <inf>o</inf>) magnetic moment of NiO by using the local spin density approximation plus the Coulomb interaction (LSDA+U) method within full potential linear muffin-tin orbital (FP-LMTO). Our calculated results indicated that both spin and orbital magnetic moment strongly correlated to U and VC. The relevant results exhibited the increasing spin and orbital magnetic moments with increasing Coulomb interaction and decreasing volume compression. The interesting behavior appears when volume compression is greater than 70% at which ms collapses whereas mo linearly decreases. Further increase of volume compression to be at 80% leads to the disappearance of both magnetic moments. The present results exhibit the good correspondence to the experimental data at the normal pressure and U value of 6 eV. Copyright © 2011 American Scientific Publishers All rights reserved.