Theory of the electronic and structural properties of solid state oxides. Progress report, [July 1, 1992--June 30, 1993]
Some areas examined are: (1) The nature of the amorphization process of quartz under pressure, including the development of a new microscopic model for the amorphization process. (2) Elastic anomalies in high temperature forms of silica, including the discovery of a negative Poisson ratio in {alpha}-cristobalite. (3) The equation of states of crystalline silica polymorphs. (4) The behavior of the optical and electronic properties of quartz under pressure. (5) The optical and structural properties of titania and ruthenia. (6) The nature of transition metal dopants in titania. (7) New theoretical approaches for understanding covalent bonds in oxides and small semiconductor clusters.
- Research Organization:
- Minnesota Univ., Minneapolis, MN (United States). Dept. of Chemical Engineering and Materials Science
- Sponsoring Organization:
- USDOE, Washington, DC (United States)
- DOE Contract Number:
- FG02-89ER45391
- OSTI ID:
- 10159378
- Report Number(s):
- DOE/ER/45391--T2; ON: DE94013705; BR: KC0202020/KC0202030
- Country of Publication:
- United States
- Language:
- English
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