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Franckeite as an Exfoliable Naturally Occurring Topological Insulator

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    0545685 - ÚFCH JH 2022 RIV US eng J - Journal Article
    Paz, W. S. - Menezes, M. G. - Batista, N. N. - Sanchez-Santolino, G. - Velický, Matěj - Varela, M. - Capaz, R. B. - Palacios, J. J.
    Franckeite as an Exfoliable Naturally Occurring Topological Insulator.
    Nano Letters. Roč. 21, č. 18 (2021), s. 7781-7788. ISSN 1530-6984. E-ISSN 1530-6992
    Institutional support: RVO:61388955
    Keywords : 2D material * first-principles calculations * franckeite * natural superlattice * topological insulator * transmission electron microscopy
    OECD category: Electrochemistry (dry cells, batteries, fuel cells, corrosion metals, electrolysis)
    Impact factor: 11.189, year: 2020
    Method of publishing: Limited access

    Franckeite is a natural superlattice composed of two alternating layers of different composition which has shown potential for optoelectronic applications. In part, the interest in franckeite lies in its layered nature which makes it easy to exfoliate into very thin heterostructures. Not surprisingly, its chemical composition and lattice structure are so complex that franckeite has escaped screening protocols and high-throughput searches of materials with nontrivial topological properties. On the basis of density functional theory calculations, we predict a quantum phase transition originating from stoichiometric changes in one of franckeite composing layers (the quasihexagonal one). While for a large concentration of Sb, franckeite is a sequence of type-II semiconductor heterojunctions, for a large concentration of Sn, these turn into type-III, much alike InAs/GaSb artificial heterojunctions, and franckeite becomes a strong topological insulator. Transmission electron microscopy observations confirm that such a phase transition may actually occur in nature.
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