A method for the calculation of the orbital moments for complex crystal structures |
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| Institution: | Department of Chemistry, University of Pittsburgh, Pittsburgh, PA 15260, USA |
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| Abstract: | A new technique has been proposed for the calculation of the orbital moment in complex crystal structures. The partial density of states for different projection of the orbital moment is calculated using the recursion method. The partial density of states is split due to the effect of spin-orbit interaction and the orbital moment is calculated self-consistently. |
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