Their proposal is to continue to develop and apply analytical methods in the electronic structure of solids, complementary to the more widely used computational techniques. As part of this program they would include Coulomb effects selfconsistently in the tight-binding theory of transition-metal and f-shell-metal compounds. They would also incorporate these effects in the theory of the bonding properties of covalent solids, using improvements in the overlap repulsion suggested by Van Schilfgaarde and Sher. They propose also to study the temperature dependence of band edges, first using tight-binding theory and second using pseudopotential theory, and then to compare the two theories. Finally, they would like again to direct a student in a program closely associated with one of the experimental programs at Stanford.

Agency
National Science Foundation (NSF)
Institute
Division of Materials Research (DMR)
Application #
8819397
Program Officer
G. Bruce Taggart
Project Start
Project End
Budget Start
1989-09-01
Budget End
1993-02-28
Support Year
Fiscal Year
1988
Total Cost
$119,200
Indirect Cost
Name
Stanford University
Department
Type
DUNS #
City
Palo Alto
State
CA
Country
United States
Zip Code
94304