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Title: Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds
Authors: Wang, Y.J
Lin, H 
Das, T
Hasan, M.Z
Bansil, A 
Keywords: Atomic numbers
Band inversion
Brillouin zones
Chalcogenide compound
First-principles calculation
Inversion strength
Naturally occurring
Single point
Tetragonal structure
Three-dimensional (3D)
Electric insulators
Positive ions
Three dimensional
Phase change memory
Issue Date: 2010
Citation: Wang, Y.J, Lin, H, Das, T, Hasan, M.Z, Bansil, A (2010). Topological insulators in the quaternary chalcogenide compounds and ternary famatinite compounds. New Journal of Physics 13 : 85017. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
Abstract: We present first-principles calculations to predict several threedimensional (3D) topological insulators in quaternary chalcogenide compounds of compositions I2-II-IV-VI4 and ternary famatinite compounds of compositions I3-V-VI4. Among the large number of members of these two families, we give examples of naturally occurring compounds that are mainly Cu-based chalcogenides. We show that these materials are candidates for 3D topological insulators or can be tuned to obtain topologically interesting phases by manipulating the atomic number of the various cations and anions. A band inversion can occur at a single point 0 with large inversion strength, in addition to the opening of a bulk bandgap throughout the Brillouin zone. We discuss how the two investigated families of compounds are related to each other by cross-substitution of cations in the underlying tetragonal structure. © IOP Publishing Ltd and Deutsche Physikalische Gesellschaft.
Source Title: New Journal of Physics
ISSN: 1367-2630
DOI: 10.1088/1367-2630/13/8/085017
Rights: Attribution 4.0 International
Appears in Collections:Staff Publications

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