准粒子
凝聚态物理
GW近似
带隙
物理
局部密度近似
电子能带结构
自我能量
原子物理学
电子结构
量子力学
超导电性
电子
作者
R. Saniz,Hemant Dixit,D. Lamoen,B. Partoens
摘要
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.
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