Band electronic structures and crystal packing forces: Progress report, July 1, 1986--December 19, 1988
This report briefly summarizes our research progress achieved under the support of the DOE Grant (FG05-86ER45259) during the period of July 1, 1986 to December 19, 1988. Our research has been in close collaboration with Dr. Jack M. Williams's research group at Argonne National Laboratory, especially in the areas of organic conducting salts and high-temperature copper-oxide superconductors. We have examined the electronic structures of various organic conducting salts, high-temperature copper-oxide superconductors, and other low-dimensional materials by performing tight-binding band electronic structure calculations. We have carried out ab initio SCF-MO/MP2 calculations on model organic systems to study the packing forces associated with organic donor salts, and empirical atom-atom potential calculations to study the packing forces of the high-temperature copper-oxide superconductors. Our research efforts have led to a number of publications concerning the structural and the electronic properties of those low-dimensional solid materials.
- Research Organization:
- North Carolina State Univ., Raleigh (USA). Dept. of Chemistry
- DOE Contract Number:
- FG05-86ER45259
- OSTI ID:
- 6565134
- Report Number(s):
- DOE/ER/45259-6; ON: DE89004938
- Resource Relation:
- Other Information: Portions of this document are illegible in microfiche products
- Country of Publication:
- United States
- Language:
- English
Similar Records
(Band electronic structures and crystal packing forces: Progress report, July 1, 1989--December 13, 1991)
[Band electronic structures and crystal packing forces: Progress report, July 1, 1989--December 13, 1991]
Related Subjects
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ORGANIC COMPOUNDS
ELECTRONIC STRUCTURE
SUPERCONDUCTORS
COMPUTER ARCHITECTURE
COPPER OXIDES
CRITICAL CURRENT
ELECTRIC CONDUCTIVITY
LANTHANUM OXIDES
PROGRESS REPORT
SOLIDS
CHALCOGENIDES
COPPER COMPOUNDS
CURRENTS
DOCUMENT TYPES
ELECTRIC CURRENTS
ELECTRICAL PROPERTIES
LANTHANUM COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
RARE EARTH COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
360603* - Materials- Properties
656100 - Condensed Matter Physics- Superconductivity