Ab-initio calculation of optical absorption in semiconductors: A density-matrix description

Details Ab-initio calculation of optical absorption in semiconductors: A density-matrix description Ab-initio calculation of optical absorption in semiconductors: A density-matrix description

2001-08-21

arxiv.org/abs/cond-mat/0108325v1

Phys. Rev. B 64, 205305 (2001).

Physics

Condensed Matter

Materials Science

10 pages, to be published in Physical Review B

Scientific paper

10.1103/PhysRevB.64.205305

We show how to describe Coulomb renormalization effects and dielectric screening in semiconductors and semiconductor nanostructures within a first-principles density-matrix description. Those dynamic variables and approximation schemes which are required for a proper description of dielectric screening are identified. It is shown that within the random-phase approximation the direct Coulomb interactions become screened, with static screening being a good approximation, whereas the electron-hole exchange interactions remain unscreened. Differences and similarities of our results with those obtained from a corresponding GW approximation and Bethe-Salpeter equation Green's function analysis are discussed.

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