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      Topological Crystalline Insulators in the SnTe Material Class

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          Abstract

          Topological crystalline insulators are new states of matter in which the topological nature of electronic structures arises from crystal symmetries. Here we predict the first material realization of topological crystalline insulator in the semiconductor SnTe, by identifying its nonzero topological index. We predict that as a manifestation of this nontrivial topology, SnTe has metallic surface states with an even number of Dirac cones on high-symmetry crystal surfaces such as {001}, {110} and {111}. These surface states form a new type of high-mobility chiral electron gas, which is robust against disorder and topologically protected by reflection symmetry of the crystal with respect to {110} mirror plane. Breaking this mirror symmetry via elastic strain engineering or applying an in-plane magnetic field can open up a continuously tunable band gap on the surface, which may lead to wide-ranging applications in thermoelectrics, infrared detection, and tunable electronics. Closely related semiconductors PbTe and PbSe also become topological crystalline insulators after band inversion by pressure, strain and alloying.

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          Generalized Gradient Approximation Made Simple

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            Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

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              Topological Crystalline Insulators

              Liang Fu (2010)
              The recent discovery of topological insulators has revived interest in the topological properties of insulating band structures. In this work, we extend the topological classification of insulating band structures to include certain point group symmetry of crystals. We find a class of three-dimensional "topological crystalline insulators" which have metallic surface states on certain high symmetry crystal surfaces. These topological crystalline insulators can be viewed as the counterpart of topological insulators in materials without spin-orbit coupling. Their surface states have quadratic band degeneracy instead of linear Dirac dispersion. Their band structures are characterized by new Z2 invariants. We hope this work will enlarge the family of topological phases in band insulators and stimulate the search for them in real materials.
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                Author and article information

                Journal
                05 February 2012
                2012-06-30
                Article
                10.1038/ncomms1969
                1202.1003
                d60aaa48-0360-4ebd-892d-6d7fe2b97273

                http://arxiv.org/licenses/nonexclusive-distrib/1.0/

                History
                Custom metadata
                Nature Communications 3:982 (2012)
                submitted on Feb. 10, 2012; to appear in Nature Communications; 5 pages, 4 figures
                cond-mat.mtrl-sci cond-mat.mes-hall

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