Theoretical studies on the electronic structure and properties of complex ceramic crystals and glasses: Annual progress report, July 1, 1987-June 30, 1988

Technical Report · Wed Jan 06 04:00:00 EST 1988

OSTI ID:5683242

Ching, Wai-Yim

Because of the unexpected discovery of the high T/sub c/ superconductivity in perovskite oxides about a year ago and the subsequent intensified research effort world-wide, our major effort during this period has been in the area of high T/sub c/ superconducting oxides. The major accomplishments covered in this report are: (1) Study of electronic structure and optical properties of YBa/sub 2/Cu/sub 3/O/sub 7/ and the formulation of an excitonic-enhancement model for high T/sub c/ superconductivity. (2) Study of ground-state properties of ..cap alpha..-SiO/sub 2/, ..beta..-Si/sub 3/N/sub 4/ and ZrO/sub 2/ based on accurate self-consistent calculations. (3) Comparative study of electronic and magnetic properties of Nd/sub 2/Fe/sub 14/B, Nd/sub 2/Co/sub 14/B, Y/sub 2/Fe/sub 14/B and Y/sub 2/Co/sub 14/B crystals. (4) First-principles calculation of electronic structure and transport properties of Mg/sub x/Zn/sub 1-x/ metallic glasses. (5) Calculation of vibrational, infrared and Raman spectra of amorphous SiO/sub 2/ glass.

• Research Organization: Missouri Univ., Kansas City (USA)
• DOE Contract Number: FG02-84ER45170
• OSTI ID: 5683242
• Report Number(s): DOE/ER/45170-4; ON: DE88005837
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
BORIDES
BORON COMPOUNDS
CHALCOGENIDES
COBALT BORIDES
COBALT COMPOUNDS
COPPER COMPOUNDS
COPPER OXIDES
DOCUMENT TYPES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
IRON BORIDES
IRON COMPOUNDS
MAGNETIC PROPERTIES
METALLIC GLASSES
NEODYMIUM BORIDES
NEODYMIUM COMPOUNDS
NITRIDES
NITROGEN COMPOUNDS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
PROGRESS REPORT
RARE EARTH COMPOUNDS
SILICON COMPOUNDS
SILICON NITRIDES
SILICON OXIDES
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS
YTTRIUM BORIDES
YTTRIUM COMPOUNDS
YTTRIUM OXIDES
ZIRCONIUM COMPOUNDS
ZIRCONIUM OXIDES