Two-dimensional FeTe2 and predicted Janus FeXS (X: Te and Se) monolayers with intrinsic half-metallic character: tunable electronic and magnetic properties via strain and electric field

Author:

Bafekry A.1ORCID,Faraji M.2ORCID,Karbasizadeh S.3ORCID,Sarsari I. Abdolhosseini3,Jappor H. R.4ORCID,Ghergherehchi M.5,Gogova D.6ORCID

Affiliation:

1. Department of Radiation Application, Shahid Beheshti University, 19839 69411 Tehran, Iran

2. TOBB University of Economics and Technology, Sogutozu Caddesi No 43 Sogutozu, 06560, Ankara, Turkey

3. Department of Physics, Isfahan University of Technology, Isfahan, 84156-83111, Iran

4. Department of Physics, College of Education for Pure Sciences, University of Babylon, Hilla, Iraq

5. Department of Electrical and Computer Engineering, Sungkyunkwan University, 16419 Suwon, Korea

6. Department of Physics, Chemistry and Biology, Linkoping University, 58183 Linköping, Sweden

Abstract

Driven by the fabrication of bulk and monolayer FeTe2 (ACS Nano, 2020, 14, 11473–11481), we explore the lattice, dynamic stability, electronic and magnetic properties of FeTeS and FeSeS Janus monolayers using density functional theory calculations.

Funder

National Research Foundation of Korea

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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