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First-principles study of quasi-one-dimensional β-Na0.33V2O5
- Source :
-
Solid State Communications . Jun2006, Vol. 138 Issue 12, p563-566. 4p. - Publication Year :
- 2006
-
Abstract
- Abstract: The electronic structure of β-Na0.33V2O5 has been evaluated using the first-principle density functional theory approach. All energy bands near the Fermi surface (FS) disperse principally along the b-axis direction indicating the quasi-one-dimensionality of this system. The theoretical simulation of the optical property yields reasonable explanations for the notable features revealed in the measurements of the optical spectroscopy. Superconductivity appearing under a pressure of 8GPa has been discussed in connection with the pressure-induced structural and bands alternations. It is suggested that the strong interchain coupling could play a key role in the appearance of superconductivity. The electron correlation effects on the electronic structure have also been calculated and discussed in comparison with photoemission data. [Copyright &y& Elsevier]
Details
- Language :
- English
- ISSN :
- 00381098
- Volume :
- 138
- Issue :
- 12
- Database :
- Academic Search Index
- Journal :
- Solid State Communications
- Publication Type :
- Academic Journal
- Accession number :
- 21363768
- Full Text :
- https://doi.org/10.1016/j.ssc.2006.05.001