Three-Dimensional Topological Insulators in I-III-VI${}_2$ and II-IV-V${}_2$ Chalcopyrite Semiconductors

Abstract

The recent discovery of topological insulators with exotic metallic surface states has garnered great interest in the fields of condensed matter physics and materials science. A number of spectacular quantum phenomena have been predicted when the surface states are under the influence of magnetism and superconductivity, which could open up new opportunities for technological applications in spintronics and quantum computing. To achieve this goal, material realization of topological insulators with desired physical properties is of crucial importance. Based on first-principles calculations, here we show that a large number of ternary chalcopyrite compounds of composition I-III-VI${}_2$ and II-IV-V${}_2$ can realize the topological insulating phase in their native states. The crystal structure of chalcopyrites is derived from the frequently used zinc-blende structure, and many of them possess a close lattice match to important mainstream semiconductors, which is essential for a smooth integration into current semiconductor technology. The diverse optical, electrical and structural properties of chalcopyrite semiconductors, and particularly their ability to host room-temperature ferromagnetism, make them appealing candidates for novel spintronic devices.

arXiv comment5 pages, 4 figure

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• Colloquium: Topological Band Theory
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• Topological insulators and thermoelectric materials
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• Topological Insulators and Quantum Spin Liquids
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• Topological Phases in Triangular Lattices of Ru Adsorbed on Graphene: ab-initio calculations
• First principles calculation of shift current in chalcopyrite semiconductor ZnSnP${}_2$
• Adiabatic transformation as a search tool for new topological insulators: distorted ternary Li${}_2$AgSb-class semiconductors and related compounds
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• A new class of topological insulators from I-III-IV half-Heusler compounds with strong band inversion strength
• Interplay between spin-orbit coupling and crystal-field effect in topological insulators
• A first-principles investigation of band inversion in topologically nontrivial Na2AgX (X= As, Sb and Bi) full Heusler compounds
• On quasi-nodal spheres and the spin Hall effect: the case of YH3 and CaTe
• Introduction to Topological Insulators
• A first-principles investigation of Topological Phase Transition in face-centred cubic LiMgBi
• The d-p band-inversion topological insulator in bismuth-based skutterudites
• Orbital enhanced intrinsic nonlinear planar Hall effect for probing topological phase transition in CuTlSe${}_2$
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