Godby, R.W. and Rieger, M.M. (1998) The charge density of semiconductors in the GW approximation. Physical review B. pp. 1343-1348. ISSN 1550-235X
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.
|Copyright, Publisher and Additional Information:||© 2008 American Physical Society. Published in Physical Review B and uploaded in accordance with the publisher's self archiving policy.|
|Institution:||The University of York|
|Academic Units:||The University of York > Physics (York)|
|Depositing User:||Physics Import|
|Date Deposited:||25 Sep 2008 15:55|
|Last Modified:||06 Feb 2017 11:54|