Date of Award
1992
Document Type
Thesis
Publication Status
Version of Record
Submission Date
October 2026
Thesis/Dissertation Advisor [Chair]
Jordan, Robin G.
Abstract
The band structure, density of states, Fermi surface, bulk modulus and heat of formation were calculated for beta prime-NiAl using the SCF-LMTO-ASA method. The equilibrium lattice constant was also determined by minimizing the total energy. The angle-resolved and x-ray photocurrents from the valence bands were determined using the NEWPOOL and XPSI codes and the calculated spectra were compared with recent experimental measurements. In the former case, the calculations were carried out for the (001) surface using s-polarized light and included the experimentally observed relaxations of the top two layers with an Al termination. The overall agreement between the theoretical and experimental spectra is good, indicating that self-energy effects are not large.
Extent
102 p.
Recommended Citation
Hines, Eric Lawrence, "Some calculated properties of beta prime-nickel aluminum" (1992). Electronic Theses and Dissertations 1990 - 1999. 359.
https://digitalcommons.fau.edu/etd_general_4/359
Identifier
FADT14804
Comments
Thesis (M.S.)--Florida Atlantic University, 1992.|Thesis (M.S.)--Florida Atlantic University, 1992.