LDA+DMFT computation of the electronic spectrum of NiO

Abstract

The electronic spectrum, energy gap and local magnetic moment of paramagnetic NiO are computed using the local density approximation plus dynamical mean-field theory LDA DMFT . To this end the noninteracting Hamiltonian obtained within the LDA is expressed in Wannier function basis, with only the five antibonding bands with mainly Ni 3d character taken into… (More)

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Cite this paper

@inproceedings{Ren2006LDADMFTCO, title={LDA+DMFT computation of the electronic spectrum of NiO}, author={X. Ren and Ivan Leonov and Georg Keller and Marcus Kollar and Igor A. Nekrasov and Dieter Vollhardt}, year={2006} }