Theoretical studies on the electronic structure and properties of complex ceramic crystals and glasses: Annual progress report, July 1, 1988--June 30, 1989

Technical Report · Tue Jan 10 04:00:00 EST 1989

OSTI ID:6419397

Ching, Wai-Yim

This is the second year in the study of electronic and structural properties of complex ceramic crystals and glasses by means of large scale theoretical calculations. Accomplishments covered in this report are: (1) Study of electronic structures and optical properties of some newly discovered layered superconducting oxides; (2) Formulation of excitonic enhancement model for high T/sub c/ superconductivity and stoichiometric interpretation of structures of superconducting oxides; (3) Study of ground-state properties and phase transitions in Si; (4) First-principles calculation of crystal field parameters and zero temperature anisotropic energy in Nd/sub 2/Fe/sub 14/B permanent magnet; and (5) First-principles calculation of electronic structure and transport properties in metallic glasses. 9 refs.

• Research Organization: Missouri Univ., Kansas City, MO (USA)
• DOE Contract Number: FG02-84ER45170
• OSTI ID: 6419397
• Report Number(s): DOE/ER/45170-5; ON: DE89008637
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360202 -- Ceramics
Cermets
& Refractories-- Structure & Phase Studies
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
360602 -- Other Materials-- Structure & Phase Studies
360603 -- Materials-- Properties
BORIDES
BORON COMPOUNDS
CERAMICS
CHALCOGENIDES
CRYSTAL FIELD
DOCUMENT TYPES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
ELEMENTS
GLASS
IRON BORIDES
IRON COMPOUNDS
NEODYMIUM BORIDES
NEODYMIUM COMPOUNDS
OPTICAL PROPERTIES
OXIDES
OXYGEN COMPOUNDS
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
PROGRESS REPORT
RARE EARTH COMPOUNDS
SEMIMETALS
SILICON
STOICHIOMETRY
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS
ZIRCONIUM COMPOUNDS
ZIRCONIUM OXIDES