Condensed Matter, abstract
cond-mat/9801177

From: David Vanderbilt <dhv@physics.rutgers.edu>
Date: Sat, 17 Jan 1998 20:25:17 GMT   (5kb)

Electronic polarization in the ultrasoft pseudopotential formalism

Authors: David Vanderbilt (Department of Physics and Astronomy, Rutgers University), R.D. King-Smith (Molecular Simulations Inc., San Diego, CA)
Comments: 6 pages. Uses REVTEX macros. Also available at this http URL
Subj-class: Materials Science

An expression is given for the electronic polarization of an insulating crystal within the ultrasoft pseudopotential scheme. The pseudopotential charge-augmentation terms modify the usual Berry-phase expression, and also give rise to a second term that takes the form of a conventional expectation value.

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