The charge density of semiconductors in the GW approximation

R.W. Godby; M.M. Rieger

doi:10.1103/PhysRevB.58.1343

The charge density of semiconductors in the GW approximation

R.W. Godby, M.M. Rieger

Physics

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

Abstract

We present a method to calculate the electronic charge density of periodic solids in the GW approximation, using the space-time method. We investigate for the examples of silicon and germanium to what extent the GW approximation is charge-conserving and how the charge density compares with experimental values. We find that the GW charge density is close to experiment and charge is practically conserved. We also discuss how using a Hartree potential consistent with the level of approximation affects the quasi-particle energies and find that the common simplification of using the LDA Hartree potential is a very well justified.

Original language	English
Pages (from-to)	1343-1348
Number of pages	5
Journal	Physical Review B
Volume	58
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevB.58.1343
Publication status	Published - 15 Jul 1998

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abstract = "We present a method to calculate the electronic charge density of periodic solids in the GW approximation, using the space-time method. We investigate for the examples of silicon and germanium to what extent the GW approximation is charge-conserving and how the charge density compares with experimental values. We find that the GW charge density is close to experiment and charge is practically conserved. We also discuss how using a Hartree potential consistent with the level of approximation affects the quasi-particle energies and find that the common simplification of using the LDA Hartree potential is a very well justified.",

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