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Spin-orbit gap of graphene: First-principles calculations

Yugui Yao, Fei Ye, Xiao-Liang Qi, Shou-Cheng Zhang, and Zhong Fang
Phys. Rev. B 75, 041401(R) – Published 2 January 2007

Abstract

Even though graphene is a low-energy system consisting of a two-dimensional honeycomb lattice of carbon atoms, its quasiparticle excitations are fully described by the (2+1)-dimensional relativistic Dirac equation. In this paper we show that, while the spin-orbit interaction in graphene is of the order of 4meV, it opens up a gap of the order of 103meV at the Dirac points. We present a first-principles calculation of the spin-orbit gap, and explain the behavior in terms of a simple tight-binding model. Our result also shows that the recently predicted quantum spin Hall effect in graphene can occur only at unrealistically low temperature.

  • Figure
  • Received 5 December 2006

DOI:https://doi.org/10.1103/PhysRevB.75.041401

©2007 American Physical Society

Authors & Affiliations

Yugui Yao1, Fei Ye2, Xiao-Liang Qi2, Shou-Cheng Zhang3, and Zhong Fang1,4

  • 1Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100080, China
  • 2Center for Advanced Study, Tsinghua University, Beijing 100084, China
  • 3Department of Physics, McCullough Building, Stanford University, Stanford, California 94305-4045, USA
  • 4International Center for Quantum Structure, Chinese Academy of Sciences, Beijing 100080, China

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Issue

Vol. 75, Iss. 4 — 15 January 2007

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