The charge density of semiconductors in the GW approximation

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 experimen...

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Hauptverfasser: Rieger, Martin M, Godby, R. W
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description 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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subjects Physics - Disordered Systems and Neural Networks
Physics - Materials Science
Physics - Mesoscale and Nanoscale Physics
Physics - Other Condensed Matter
Physics - Quantum Gases
Physics - Soft Condensed Matter
Physics - Statistical Mechanics
Physics - Strongly Correlated Electrons
Physics - Superconductivity
title The charge density of semiconductors in the GW approximation
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