We discuss the electronic properties of VO2 in its monoclinic, insulating phase, by comparing the results of quasiparticle band structure calculations obtained within a model GW scheme with those of both LDA calculations and available experiments. Our calculations are based on the full-potential-linearized-augmented-plane-wave method. We obtain the correct energy gap for this compound and a density of states consistent with photoemission results. Moreover, we show that model GW calculations reproduce satisfactorily the imaginary part of the dielectric constant as obtained by optical and EELS measurements
Self-energy corrections in VO2 within a model GW scheme
CONTINENZA, Alessandra;
1999-01-01
Abstract
We discuss the electronic properties of VO2 in its monoclinic, insulating phase, by comparing the results of quasiparticle band structure calculations obtained within a model GW scheme with those of both LDA calculations and available experiments. Our calculations are based on the full-potential-linearized-augmented-plane-wave method. We obtain the correct energy gap for this compound and a density of states consistent with photoemission results. Moreover, we show that model GW calculations reproduce satisfactorily the imaginary part of the dielectric constant as obtained by optical and EELS measurementsFile in questo prodotto:
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