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Ubiquitous formation of bulk Dirac cones and topological surface states from a single orbital manifold in transition-metal dichalcogenides
Nature Materials ( IF 41.2 ) Pub Date : 2017-11-27 , DOI: 10.1038/nmat5031
M. S. Bahramy , O. J. Clark , B.-J. Yang , J. Feng , L. Bawden , J. M. Riley , I. Marković , F. Mazzola , V. Sunko , D. Biswas , 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

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.



中文翻译:

过渡金属二卤化物中单个轨道流形的散装狄拉克锥和拓扑表面状态的无处不在形成

过渡金属二硫化碳(TMD)以其丰富多样的体积特性而闻名,而其单层变体已成为二维材料中石墨烯以外最突出的例子之一。它们的不同基态在很大程度上取决于过渡金属d电子衍生的电子态,迄今为止,绝大多数注意力都集中在过渡金属d电子衍生的电子态上。在这里,我们关注硫族元素衍生的状态。从密度泛函理论计算以及自旋和角度分辨的光发射,我们发现它们通常共存I型和II型三维体狄拉克费米子以及拓扑表面状态和表面的阶梯共鸣。我们演示了这些自然如何在单个p内出现-轨道流形是三角晶体场的一般结果,因此有望在大量化合物中使用。我们已经证明了它们存在于六个单独的TMD中,为调整和最终利用它们的拓扑物理开辟了道路。

更新日期:2017-11-28
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