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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 G 0W 0 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.
Authors:
 [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:
Grant/Contract Number:
AC05-00OR22725; DMR-1056587; TG-DMR140067
Type:
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
Publisher:
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)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 2-D materials; Antimony Telluroiodide; spin-orbit coupling; Rashba effect
OSTI Identifier:
1261261
Alternate Identifier(s):
OSTI ID: 1213970

Zhuang, Houlong L., Cooper, Valentino R., Xu, Haixuan, Ganesh, P., Hennig, Richard G., and Kent, P. R. C.. Rashba effect in single-layer antimony telluroiodide SbTeI. United States: N. p., Web. doi:10.1103/PhysRevB.92.115302.
Zhuang, Houlong L., Cooper, Valentino R., Xu, Haixuan, Ganesh, P., Hennig, Richard G., & Kent, P. R. C.. Rashba effect in single-layer antimony telluroiodide SbTeI. United States. doi:10.1103/PhysRevB.92.115302.
Zhuang, Houlong L., Cooper, Valentino R., Xu, Haixuan, Ganesh, P., Hennig, Richard G., and Kent, P. R. C.. 2015. "Rashba effect in single-layer antimony telluroiodide SbTeI". United States. doi:10.1103/PhysRevB.92.115302. https://www.osti.gov/servlets/purl/1261261.
@article{osti_1261261,
title = {Rashba effect in single-layer antimony telluroiodide SbTeI},
author = {Zhuang, Houlong L. and Cooper, Valentino R. and Xu, Haixuan and Ganesh, P. and Hennig, Richard G. and Kent, P. R. C.},
abstractNote = {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.},
doi = {10.1103/PhysRevB.92.115302},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 11,
volume = 92,
place = {United States},
year = {2015},
month = {9}
}