KAUST DepartmentPhysical Sciences and Engineering (PSE) Division
Materials Science and Engineering Program
Computational Physics and Materials Science (CPMS)
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AbstractFirst-principles calculations are employed to demonstrate a giant Rashba spin splitting in Bi2Se3:Tl. Biaxial tensile and compressive strain is used to tune the splitting by modifying the potential gradient. The band gap is found to increase under compression and decreases under tension, whereas the dependence of the Rashba spin splitting on the strain is the opposite. Large values of αR = 1.57 eV Å at the bottom of the conduction band (electrons) and αR = 3.34 eV Å at the top of the valence band (holes) are obtained without strain. These values can be further enhanced to αR = 1.83 eV Å and αR = 3.64 eV Å, respectively, by 2% tensile strain. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.
SponsorsResearch reported in this publication was supported by the King Abdullah University of Science and Technology (KAUST). We thank KAUST research computing for supplying the computational resources for this study. N.S. acknowledges SABIC for financial support.