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First-Principles Calculations of the Electron-Hole-Pair Creation Energy in Semiconductors and Dielectrics
We present first-principles calculations of the electron-hole-pair creation energy in semiconductors and dielectrics, focusing in particular on AlN, 3C-SiC, 4H-SiC, Si, and SiO2. We have employed density functional theory (DFT) to calculate the band structure, density-functional perturbation theory
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