Electron states and Fermi surfaces in the organic superconductor {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br
Journal Article
·
· Physical Review, B: Condensed Matter
- Department of Physics, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)
- Department of Chemistry, University of Missouri-Kansas City, Kansas City, Missouri 64110 (United States)
The electronic structure and the Fermi surfaces of the organic superconductor {kappa}-(BEDT-TTF){sub 2}Cu[N(CN){sub 2}]Br are elucidated by first-principles calculations. The results show very narrow bands, high state density at the Fermi level, and a small band effective mass of 0.28m{sub 0} for the closed hole orbit. The topological features of the Fermi surfaces with multiple sheets are more complicated than that of {kappa}-(BEDT-TTF){sub 2}Cu(NCS){sub 2}. Fermi electron distribution on the central C{double_bond}C double bond reveals the nonequivalency of the two central C atoms. {copyright} {ital 1997} {ital The American Physical Society}
- Research Organization:
- University of Missouri
- DOE Contract Number:
- FG02-84ER45170
- OSTI ID:
- 489286
- Journal Information:
- Physical Review, B: Condensed Matter, Journal Name: Physical Review, B: Condensed Matter Journal Issue: 5 Vol. 55; ISSN 0163-1829; ISSN PRBMDO
- Country of Publication:
- United States
- Language:
- English
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Wed Jul 01 00:00:00 EDT 1998
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OSTI ID:20034172