Multiband Semimetallic Electronic Structure of Superconducting Ta2PdSe5

David Joseph Singh

doi:10.1371/journal.pone.0123667

Multiband Semimetallic Electronic Structure of Superconducting Ta2PdSe5

PLoS One. 2015 Apr 24;10(4):e0123667. doi: 10.1371/journal.pone.0123667. eCollection 2015.

Author

David Joseph Singh¹

Affiliation

¹ Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee, USA.

Abstract

We report the electronic structure and related properties of the superconductor Ta2PdSe5 as determined from density functional calculations. The Fermi surface has two disconnected sheets, both derived from bands of primarily chalcogenide p states. These are a corrugated hole cylinder and a heavier complex shaped electron sheet. The sheets contain 0.048 holes and a compensating number of electrons per formula unit, making the material a semimetallic superconductor. The results support the presence of two band superconductivity, although a discrepancy in the specific heat is noted. This discrepancy is discussed as a possible consequence of Pd deficiency in samples.

Publication types

Research Support, U.S. Gov't, Non-P.H.S.

MeSH terms

Electric Conductivity*
Models, Theoretical*

Associated data

Dryad/10.5061/dryad.G92C4

Grants and funding

This work was funded by the Department of Energy, Basic Energy Sciences, Materials Sciences and Engineering Division. The funders had no role in study design, data collection and analysis, decision to publish, or preparation of the manuscript.