1. Quasiparticle energies and uniaxial pressure effects on the properties of SnO2
- Author
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Dirk Lamoen, Bart Partoens, Rolando Saniz, and Hemant Dixit
- Subjects
Physics ,GW approximation ,Effective mass (solid-state physics) ,Physics and Astronomy (miscellaneous) ,Condensed matter physics ,Band gap ,Exciton ,Energy spectrum ,Quasiparticle ,Density functional theory ,Atomic physics ,Uniaxial pressure - Abstract
We calculate the quasiparticle energy spectrum of SnO2 within the GW approximation, properly taking into account the contribution of core levels to the energy corrections. The calculated fundamental gap is of 3.85 eV. We propose that the difference with respect to the experimental optical gap (3.6 eV) is due to excitonic effects in the latter. We further consider the effect applied on uniaxial pressure along the c-axis. Compared to GW, the effect of pressure on the quasiparticle energies and band gap is underestimated by the local-density approximation. The quasiparticle effective masses, however, appear to be well described by the latter.
- Published
- 2010
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