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Title: Rashba effect in single-layer antimony telluroiodide SbTeI

Exploring spin-orbit coupling (SOC) in single-layer materials is important for potential spintronics applications. In this paper, using first-principles calculations, we show that single-layer antimony telluroiodide SbTeI behaves as a two-dimensional semiconductor exhibiting a G0W0 band gap of 1.82 eV. More importantly, we observe the Rashba spin splitting in the SOC band structure of single-layer SbTeI with a sizable Rashba coupling parameter of 1.39 eV Å, which is significantly larger than that of a number of two-dimensional systems including surfaces and interfaces. The low formation energy and real phonon modes of single-layer SbTeI imply that it is stable. Finally, our study suggests that single-layer SbTeI is a candidate single-layer material for applications in spintronics devices.
 [1] ;  [1] ;  [2] ;  [1] ;  [3] ;  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Univ. of Tennessee, Knoxville, TN (United States)
  3. Univ. of Florida, Gainesville, FL (United States)
Publication Date:
OSTI Identifier:
Grant/Contract Number:
AC05-00OR22725; DMR-1056587; TG-DMR140067
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 92; Journal Issue: 11; Journal ID: ISSN 1098-0121
American Physical Society (APS)
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC); Oak Ridge National Lab. (ORNL); Univ. of Tennessee, Knoxville, TN (United States); National Science Foundation (NSF) (United States)
Country of Publication:
United States
36 MATERIALS SCIENCE 2-D materials; Antimony Telluroiodide; spin-orbit coupling; Rashba effect