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We report the electronic structure and related properties of thesuperconductor Ta2PdSe5 as determined from density functional calculations. TheFermi surface has two disconnected sheets, both derived from bands of primarilychalcogenide p states. These are a corrugated hole cylinder and and a heaviercomplex shaped electron sheet. The sheets contain 0.048 holes and acompensating number of electrons per formula unit, making the material asemimetallic superconductor. The results support the presence of two bandsuperconductivity, although a discrepancy in the specific heat is noted. Thisdiscrepancy is discussed as a possible consequence of Pd deficiency in samples.

Multiband Semimetallic Electronic Structure of Superconducting Ta2PdSe5