First-principles self-energy calculations of carrier-induced band gap narrowing in silicon

R.W. Godby; A. Oschlies; R.J. Needs

doi:10.1103/PhysRevB.45.13741

First-principles self-energy calculations of carrier-induced band gap narrowing in silicon

R.W. Godby, A. Oschlies, R.J. Needs

Physics

Research output: Contribution to journal › Article › peer-review

Abstract

We calculate the band-gap narrowing in silicon caused by the introduction of additional electrons, using a first-principles self-energy approach within the GW approximation. We include full local-field effects and the nonlocal and energy-dependent dielectric function of the intrinsic material. We also analyze our calculations to test the approximations normally used in simple models of this effect: local-field effects are found to be unimportant, but the inclusion of the energy dependence of the dielectric response of the intrinsic material, which is normally neglected in model calculations, is found to be crucial at high carrier concentrations.

Original language	English
Pages (from-to)	13741-13744
Number of pages	3
Journal	Physical Review B
Volume	45
Issue number	23
DOIs	https://doi.org/10.1103/PhysRevB.45.13741
Publication status	Published - 15 Jun 1992

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10.1103/PhysRevB.45.13741

Cite this

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abstract = "We calculate the band-gap narrowing in silicon caused by the introduction of additional electrons, using a first-principles self-energy approach within the GW approximation. We include full local-field effects and the nonlocal and energy-dependent dielectric function of the intrinsic material. We also analyze our calculations to test the approximations normally used in simple models of this effect: local-field effects are found to be unimportant, but the inclusion of the energy dependence of the dielectric response of the intrinsic material, which is normally neglected in model calculations, is found to be crucial at high carrier concentrations.",

author = "R.W. Godby and A. Oschlies and R.J. Needs",

note = "{\textcopyright} 1992 American Physical Society.",

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