Theoretical Investigation of Surface and Bulk Electronic and Atomic Properties of Metals.
Final scientific rept.,
PENNSYLVANIA STATE UNIV UNIVERSITY PARK DEPT OF PHYSICS
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The objectives of the research program was to understand in terms of electronic and atomic theories, and model calculations, certain features of the surface and volume properties of metals. Of several surface studies, one provided for the first time quantitative evidence for the importance of surface roughness for a significant surface photoemission. Other studies correlated energy band structure with electron energy distributions and spin polarization from ordinary and ferromagnetic transition metals. A first principles calculation with modified one electron theory described the optical absorption in sodium. Extensive calculations demonstrated that one can obtain consistent and excellent agreement of atomic and electronic experimental properties with those obtained from a first principles non-local pseudopotential. Author
- Solid State Physics