Higher-order contributions to the Rashba-Bychkov effect with application to the Bi/Ag(111) surface alloy

被引：115
作者：
Vajna, Sz [1 ]
Simon, E. [1 ,2 ]
Szilva, A. [1 ]
Palotas, K. [1 ]
Ujfalussy, B. [3 ]
Szunyogh, L. [1 ]
机构：
[1] Budapest Univ Technol & Econ, Dept Theoret Phys, H-1111 Budapest, Hungary
[2] Eotvos Lorand Univ, Dept Phys, H-1518 Budapest, Hungary
[3] Hungarian Acad Sci, Inst Solid State Phys & Opt, Wigner Res Ctr Phys, H-1525 Budapest, Hungary
来源：
PHYSICAL REVIEW B | 2012年 / 85卷 / 07期
关键词：
INITIO MOLECULAR-DYNAMICS; AU(111); METALS; STATES;
D O I：
10.1103/PhysRevB.85.075404
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
In order to explain the anisotropic Rashba-Bychkov effect observed in several metallic-surface-state systems, we use k . p perturbation theory with a simple group-theoretical analysis and construct effective Rashba Hamiltonians for different point groups up to third order in the wave number. We perform relativistic ab initio calculations for the (root 3 x root 3)R30 degrees Bi/Ag(111) surface alloy, and from the calculated splitting of the band dispersion we find evidence of the predicted third-order terms. Furthermore, we derive expressions for the corresponding third-order Rashba parameters to provide a simple explanation of the qualitative difference concerning the Rashba-Bychkov splitting of the surface states at Au(111) and Bi/Ag(111).
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页数：7
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