Benesh, Gregory Allen, 1953-Katz, David A. (David Alan), 1982-Baylor University. Dept. of Physics.2010-10-082010-10-082010-082010-10-08http://hdl.handle.net/2104/8037Includes bibliographical references (p. ).Theoretical self-consistent calculations utilizing the Surface Embedded Green Function (SEGF) method have been performed on the Ag(111) surface. Analysis of the surface energetics reveal an energy minimum in the low temperature limit at an outerlayer contraction of 0.5% which agrees well with low energy electron diffraction and ion scattering studies. The predicted Ag(111) work function of 4.75 eV is in excellent agreement with the experimental value from photoelectron measurements. Furthermore, a surface state is predicted to exist at 0.15 eV below Ef, in very good agreement with a state observed experimentally in photoelectron spectroscopy at 0.12 eV below Ef.. The best agreement with experiment across this diverse set of surface phenomena is obtained with the current implementation of the SEGF method.531876 bytes68181 bytesapplication/pdfapplication/pdfen-USBaylor University theses are protected by copyright. They may be viewed from this source for any purpose, but reproduction or distribution in any format is prohibited without written permission. Contact librarywebmaster@baylor.edu for inquiries about permission.Condensed matter physics.ThesisWorldwide access.Access changed 3/18/13.