Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides

M. S. Bahramy, O. J. Clark, B.-J. Yang, J. Feng, L. Bawden, J. M. Riley, I. Markovic, F. Mazzola, V. Sunko, D. Biswas, S. P. Cooil, M. Jorge, J. W. Wells, M. Leandersson, T. Balasubramanian, J. Fujii, I. Vobornik, J. Rault, T.K. Kim, M. HoeschK. Okawa, M. Asakawa, T. Sasagawa, T. Eknapakul, W. Meevasana, P. D. C. King

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Abstract

Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied bulk properties, while their single-layer variants have become one of the most prominent examples of two-dimensional materials beyond graphene. Their disparate ground states largely depend on transition metal d-electron-derived electronic states, on which the vast majority of attention has been concentrated to date. Here, we focus on the chalcogen-derived states. From density-functional theory calculations together with spin- and angle-resolved photoemission, we find that these generically host a coexistence of type-I and type-II three-dimensional bulk Dirac fermions as well as ladders of topological surface states and surface resonances. We demonstrate how these naturally arise within a single p-orbital manifold as a general consequence of a trigonal crystal field, and as such can be expected across a large number of compounds. Already, we demonstrate their existence in six separate TMDs, opening routes to tune, and ultimately exploit, their topological physics.
Original languageEnglish
Pages (from-to)21-28
Number of pages8
JournalNature Materials
Volume17
Issue number1
Early online date27 Nov 2017
DOIs
Publication statusPublished - Jan 2018

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