Bulletin of the American Physical Society
2006 APS March Meeting
Monday–Friday, March 13–17, 2006; Baltimore, MD
Session P27: Electronic Structure II
11:15 AM–1:51 PM,
Wednesday, March 15, 2006
Baltimore Convention Center Room: 324
Sponsoring Unit: DCOMP
Chair: Anne Chaka, National Institute of Standards and Technology
Abstract ID: BAPS.2006.MAR.P27.5
Abstract: P27.00005 : Zeroth-moment dielectric sum rule applied to electron damping*
12:03 PM–12:15 PM
Preview Abstract Abstract
Eric L. Shirley
(U. Washington, Seattle)
The first and inverse-first frequency moments of the dielectric function, epsilon(q,omega), are given by the f-sum rule and Kramers-Kronig transformation of the static dielectric function. Model expressions for these quantities are plentiful. The square of the zeroth moment must be less than the product of the above two, by Cauchy-Schwartz. (It equals that product in single-plasmon-pole models). In this work, we present simple ways to estimate the zeroth moment as a function of q. This facilitates an improved model for epsilon(q,omega) that requires minimal computation and exhibits realistic behavior without use of a pole model. We apply this to calculating the electron self-energy, particularly lifetime damping effects in insulators near the band gap.
*Supported in part by DOE Grant DE-FG02-97ER45623 and facilitated by the Computational Materials Science Network (CMSN).
To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2006.MAR.P27.5
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