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EnglishWe 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
| Titolo: | Self-energy corrections in VO2 within a model GW scheme |
| Autori: | |
| Data di pubblicazione: | 1999 |
| Rivista: | |
| 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 measurements |
| Handle: | http://hdl.handle.net/11697/6152 |
| Appare nelle tipologie: | 1.1 Articolo in rivista |
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