Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides
cond-mat.mtrl-sci
/ Authors
M. S. Bahramy, O. J. Clark, B. -J. Yang, J. Feng, L. Bawden, J. M. Riley, I. Marković, F. Mazzola, V. Sunko, D. Biswas
and 16 more authors
S. P. Cooil, M. Jorge, J. W. Wells, M. Leandersson, T. Balasubramanian, J. Fujii, I. Vobornik, J. E. Rault, T. K. Kim, M. Hoesch, K. Okawa, M. Asakawa, T. Sasagawa, T. Eknapakul, W. Meevasana, P. D. C. King
/ Abstract
Transition-metal dichalcogenides (TMDs) are renowned for their rich and varied properties. They range from metals and superconductors to strongly spin-orbit-coupled semiconductors and charge-density-wave systems, with their single-layer variants one of the most prominent current examples of two-dimensional materials beyond graphene. Their varied ground states largely depend on the 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 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.