Benesh, Gregory Allen, 1953-Dooley, Roger.Baylor University. Dept. of Physics.2007-12-032007-12-0320072007-12-03http://hdl.handle.net/2104/5051Includes bibliographical references (p. 107-109).Self-consistent spin-polarized surface embedded Green function (SEGF) calculations have been performed for the Ni(001), Co(001), and Fe(001) surfaces. Results are reported for three-layer slabs embedded onto the bulk crystals. The work functions, surface magnetic moments, and other electronic properties are compared with experiment and other theoretical work. The calculated Fe(001) work function is in good agreement with experiment and slab calculations, while the Ni(001) and Co(001) work functions are in fair agreement. Enhanced magnetic moments are obtained for the top layer of atoms, in agreement with experiment. Calculated surface states and surface resonance bands for each surface have been analyzed and compared with theoretical and experimental results.ix, 109 p. : ill.162179 bytes9551114 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.Surfaces (Physics).Green's functions.Layer structure (Solids).ThesisWorldwide access