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- Title
THEORETICAL APPROACH USING EXTENDED HUCKEL TIGHT-BINDING METHOD OF THE ELECTRONIC STRUCTURE OF CeOs<sub>4</sub>Sb<sub>12</sub> FILLED SKUTTERUDITE.
- Authors
GALVAN, DONALD H.; SAMANIEGO, J. C.
- Abstract
Based on band structure, total and projected density of states and Mulliken Population Analysis, the electronic properties of CeOs4Sb12 were investigated. The calculated energy bands depict a semiconductor behavior with an energy gap (direct gap at H) of the order of 0.45 eV. On the other hand, a strong hybridization occurs between Cef-orbitals with Osd-, p-, and Sbp-orbitals, which convince us to believe that this hybridization, added to the existence of a mini gap, are responsible for the heavy Fermion behavior, as well as the possibility to consider it a candidate for thermoelectric applications.
- Subjects
SKUTTERUDITE; HUCKEL molecular orbitals; NICKEL ores; SUPERCONDUCTIVITY; THERMOELECTRICITY
- Publication
International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2006, Vol 20, Issue 8, p1005
- ISSN
0217-9792
- Publication type
Article
- DOI
10.1142/S0217979206033590