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cond-mat.str-el2003
Ab initio charge, spin and orbital energy scales in LaMnO3
R. Tyer, W. M. Temmerman, Z. Szotek +4
The first-principles SIC-LSD theory is utilized to study electronic, magnetic and orbital phenomena in LaMnO. The correct ground state is found, which is antiferro orbitally…
cond-mat.str-el2003
Ab-initio determination of the localized/delocalized f-manifold in UPd_2Al_3
L. Petit, A. Svane, W. M. Temmerman +2
The electronic structure of UPd_2Al_3 is described using the self-interaction corrected local-spin-density approximation to density functional theory. The groundstate is found to b…