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cond-mat.str-el2004
Self-interaction corrected relativistic theory of magnetic scattering of x rays: Application to praseodymium
E. Arola, M. Horne, P. Strange +3
A first-principles theory of resonant magnetic scattering of x rays is presented. The scattering amplitudes are calculated using a standard time-dependent perturbation theory to se…
cond-mat.str-el2003
Electronic structure of half-metallic double perovskites
Z. Szotek, W. M. Temmerman, A. Svane +2
We present the self-interaction corrected local spin density (SIC-LSD) electronic structure and total energy calculations, leading also to valencies of the ground state configurati…
cond-mat.str-el2003
Ab initio study of charge order in Fe3O4
Z. Szotek, W. M. Temmerman, A. Svane +3
We present a self-interaction corrected local spin density (SIC-LSD) study of the electronic structure and possible charge order of magnetite, FeO. The issue of charge…