Self-energy corrections in VO2 within a model GW scheme

Citation
A. Continenza et al., Self-energy corrections in VO2 within a model GW scheme, PHYS REV B, 60(23), 1999, pp. 15699-15704
Citations number
34
Categorie Soggetti
Apllied Physucs/Condensed Matter/Materiales Science
Journal title
PHYSICAL REVIEW B-CONDENSED MATTER
ISSN journal
01631829 → ACNP
Volume
60
Issue
23
Year of publication
1999
Pages
15699 - 15704
Database
ISI
SICI code
0163-1829(199912)60:23<15699:SCIVWA>2.0.ZU;2-X
Abstract
We discuss the electronic properties of VO2 in its monoclinic, insulating p hase, 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-lin earized-augmented-plane-wave method. We obtain the correct energy gap for t his 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 m easurements. [S0163-1829(99)11147-0].