Semiconducting properties of Li/sub 0. 33/MoO/sub 3/
Journal Article
·
· Inorg. Chem.; (United States)
The bottom d-block band electronic structure of Li/sub 0.33/MoO/sub 3/ was derived on the basis of tight-binding band calculations on the Mo/sub 6/O/sub 24/ chains that constitute Li/sub 0.33/MoO/sub 3/. The distortions of the MoO/sub 6/ octahedra in Li/sub 0.33/MoO/sub 3/ were analyzed from the viewpoint of the O-Mo/hor ellipsis/O bond alternation so as to deduce how the t/sub 2g/-level degeneracy of a regular MoO/sub 6/ octahedron is lifted. This analysis was found to be a convenient way of understanding the nature of the bottom d-block bands of Li/sub 0.33/MoO/sub 3/. This study suggests that Li/sub 0.33/MoO/sub 3/ is a small band gap semiconductor. 14 refs., 2 figs., 1 tab.
- Research Organization:
- Universite de Paris-Sud, Orsay (France)
- DOE Contract Number:
- FG05-86ER45259
- OSTI ID:
- 5616269
- Journal Information:
- Inorg. Chem.; (United States), Journal Name: Inorg. Chem.; (United States) Vol. 27:2; ISSN INOCA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360603* -- Materials-- Properties
ALKALI METAL COMPOUNDS
CHALCOGENIDES
DATA
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
EXPERIMENTAL DATA
INFORMATION
LITHIUM COMPOUNDS
MATERIALS
MOLYBDENUM COMPOUNDS
MOLYBDENUM OXIDES
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
REFRACTORY METAL COMPOUNDS
SEMICONDUCTOR MATERIALS
TRANSITION ELEMENT COMPOUNDS
360603* -- Materials-- Properties
ALKALI METAL COMPOUNDS
CHALCOGENIDES
DATA
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
EXPERIMENTAL DATA
INFORMATION
LITHIUM COMPOUNDS
MATERIALS
MOLYBDENUM COMPOUNDS
MOLYBDENUM OXIDES
NUMERICAL DATA
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
REFRACTORY METAL COMPOUNDS
SEMICONDUCTOR MATERIALS
TRANSITION ELEMENT COMPOUNDS