Proposal for a bulk material based on a monolayer FeSe on SrTiO3 high-temperature superconductor

Sinisa Coh, Dung-Hai Lee, Steven G. Louie, and Marvin L. Cohen
Phys. Rev. B 93, 245138 – Published 20 June 2016

Abstract

Motivated by the high superconducting transition temperature of monolayer FeSe on SrTiO3, we propose a potential three-dimensional high-temperature superconductor superlattice FeSe-SrTiO3 and study its structural stability and electronic structure using density functional theory. We find that the binding energy between the FeSe and SrTiO3 layers is about 0.7 eV per (Fe2Se2) unit and that it saturates already within a single TiO2 atomic layer of SrTiO3. In addition we analyzed the dynamical stability of the superlattice and compared it to the case of bulk SrTiO3.

  • Figure
  • Figure
  • Received 10 March 2016
  • Revised 30 May 2016

DOI:https://doi.org/10.1103/PhysRevB.93.245138

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Sinisa Coh*, Dung-Hai Lee, Steven G. Louie, and Marvin L. Cohen

  • Department of Physics, University of California, and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

  • *sinisacoh@gmail.com

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Issue

Vol. 93, Iss. 24 — 15 June 2016

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