<i>Ab initio </i>study of surface states in Bi<sub>4</sub>Te<sub>3</sub>

ORAL

Abstract

The crystal structure of the layered material Bi4Te3, a member of the adaptive series of crystals (Bi2)m(Bi2Te3)n, forms a superlattice of alternating Bi2 and Bi2Te3 layers. Given the topological properties of its individual constituents, Bi4Te3 is expected to be a topological insulator or semimetal. Recent experimental results indicate the presence of unusual surface states in this material. In this work, we perform ab initio density functional theory calculations of bulk and slab geometries to investigate the surface states of Bi4Te3.

*This work was supported by the Theory of Materials Program at the Lawrence Berkeley National Laboratory funded by the U.S. Department of Energy, Office of Basic Energy Sciences under Contract No. DE-AC02-05CH11231, and by the National Science Foundation. Computational resources were provided by NERSC and XSEDE.

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Presenters

  • Omar Ashour

    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C

Authors

  • Omar Ashour

    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C

  • Zhenglu Li

    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory

  • Steven Louie

    • University of California at Berkeley, and Lawrence Berkeley National Laboratory
    • Department of Physics, University of California, Berkeley, Berkeley, California 94720, USA and Materials Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, C
    • University of California, Berkeley
    • Department of Physics, University of California, Berkeley
    • Lawrence Berkeley National Laboratory and University of California at Berkeley
    • Department of Physics, University of California at Berkeley and Lawrence Berkeley National Laboratory
    • Department of Physics, UC Berkeley
    • Physics, Unviersyt of Calfornia, Berkeley
    • Physics, University of California, Berkeley
    • Physics, University of California, Berkeley and Lawrence Berkeley National Lab