Electronic Structure of Superconducting Ta4Pd3Te16

BULLETIN OF THE KOREAN CHEMICAL SOCIETY(2015)

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摘要
The electronic structure of Ta4Pd3Te16 was analyzed by tight-binding band calculations based on the given structure. The compound electronically showed quasi-one-dimensional behavior even though it comprised a two-dimensional layered structure. A strong orbital interaction was found only along the crystallographic b-direction of the compound. Fermi surface nesting disappeared in Ta4Pd3Te16 because of the weak interaction between Ta-Te and Pd-Te polyhedra. It was found, therefore, that this compound could be a superconductor through suppression of the charge-density wave state via disappearance of Fermi surface nesting.
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关键词
Electronic structure,Fermi surface,Superconductivity,Crystal structure,Phase transitions
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