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A theoretical investigation of surface phenomena


Ho, Wilson (1975) A theoretical investigation of surface phenomena. Master's thesis, California Institute of Technology. doi:10.7907/DB7B-FM81.


Using the Linear Combination of Atomic Orbitals (LCAO) formalism and the tight-binding approximation, we have investigated three separate types of surface phenomena via the Green's function method and the phase shift technique. We obtain the shift in the energy levels due to the following: (l) creation of the surface, (2) surface reconstruction, and (3) the adsorption of a single atom. In the first two parts, we study the (001) face of a two-band crystal with the CsC1 structure, simulating the surface properties of semiconductors or insulators. In the third part, we study the interaction of a single atom with the (001) surface of a bcc metal. The results obtained are contrasted with those obtained from a one-band calculation for the (001) surface of a simple cubic crystal. We find that the second unoccupied band is of utmost importance in understanding these surface phenomena.

Item Type:Thesis (Master's thesis)
Subject Keywords:Chemistry
Degree Grantor:California Institute of Technology
Division:Chemistry and Chemical Engineering
Major Option:Chemistry
Thesis Availability:Public (worldwide access)
Research Advisor(s):
  • Weinberg, William Henry (advisor)
  • Cunningham, Steven (co-advisor)
Thesis Committee:
  • Unknown, Unknown
Defense Date:6 June 1975
Record Number:CaltechTHESIS:04072010-112323165
Persistent URL:
Default Usage Policy:No commercial reproduction, distribution, display or performance rights in this work are provided.
ID Code:5700
Deposited By: Tony Diaz
Deposited On:14 Jun 2010 20:23
Last Modified:21 Dec 2019 04:40

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