LDA+DMFT computation of the electronic spectrum of NiO


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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@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} }