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

M S BahramyO J ClarkB-J YangJ FengL BawdenJ M RileyI MarkovićF MazzolaV SunkoD BiswasS P CooilM JorgeJ W WellsM LeanderssonT BalasubramanianJ FujiiI VobornikJ E RaultTimur K KimM HoeschK OkawaM AsakawaT SasagawaT EknapakulW MeevasanaPhil D C King
Published in: Nature materials (2017)
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 co-existence 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.
Keyphrases
  • transition metal
  • density functional theory
  • molecular dynamics
  • high resolution
  • dna methylation
  • working memory
  • room temperature
  • genome wide
  • single molecule
  • electron transfer