Relationship of Li{sub 2}WO{sub 4} to the scheelite tungstate scintillators: Electronic structure and atomic positions from density-functional calculations
Journal Article
·
· Physical Review. B, Condensed Matter and Materials Physics
- Materials Science and Technology Division and Center for Radiation Detection Materials and Systems, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6114 (United States)
Density-functional calculations of the electronic structure and atomic positions are reported for Li{sub 2}WO{sub 4}. This compound is found to be very different from the tungstate scintillators such as PbWO{sub 4} in that both the valence and conduction bands are much less dispersive. This leads to a substantially larger band gap. The difference is understood in terms of the crystal structure, in particular, the longer O-O distances connecting the WO{sub 4} tetrahedra.
- OSTI ID:
- 21143109
- Journal Information:
- Physical Review. B, Condensed Matter and Materials Physics, Vol. 77, Issue 11; Other Information: DOI: 10.1103/PhysRevB.77.113101; (c) 2008 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1098-0121
- Country of Publication:
- United States
- Language:
- English
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