LDA+DMFTcomputation of the electronic spectrum of NiO
نویسندگان
چکیده
منابع مشابه
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15 صفحه اولLDA+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 account. Complementing it by local Co...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.74.195114