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First principles and experimental study of the electronic structure and phase stability of bulk thallium bromide.
- Source :
-
Applied Physics Letters . 8/26/2013, Vol. 103 Issue 9, p091901. 5p. 2 Charts, 5 Graphs. - Publication Year :
- 2013
-
Abstract
- We apply state-of-art first principle calculations to study the polymorphism and electronic structure of three previously reported phases of TlBr. The calculated band structures of NaCl-structure phase and orthorhombic-structure phase have different features than that of commonly observed CsCl-structure phase. We further interpret photoluminescence spectra based on our calculations. Several peaks close to calculated band gap values of the NaCl-structure phase and the orthorhombic-structure phase are found in unpolished TlBr samples. [ABSTRACT FROM AUTHOR]
- Subjects :
- *THALLIUM
*BROMIDES
*SALT
*ELECTRONIC structure
*PHOTOLUMINESCENCE
*AXIOMS
Subjects
Details
- Language :
- English
- ISSN :
- 00036951
- Volume :
- 103
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- Applied Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 90048286
- Full Text :
- https://doi.org/10.1063/1.4819238