{
  "id": "1611.00649",
  "version": "v1",
  "published": "2016-11-02T15:16:23.000Z",
  "updated": "2016-11-02T15:16:23.000Z",
  "title": "Twistronics: Manipulating the Electronic Properties of Two-dimensional Layered Structures through their Twist Angle",
  "authors": [
    "Stephen Carr",
    "Daniel Massatt",
    "Shiang Fang. Paul Cazeaux",
    "Mitchell Luskin",
    "Efthimios Kaxiras"
  ],
  "comment": "7 pages, 4 figures, to be submitted to Phys. Rev. B",
  "categories": [
    "cond-mat.mes-hall"
  ],
  "abstract": "The ability in experiments to control the relative twist angle between successive layers in two-dimensional (2D) materials offers a new approach to manipulating their electronic properties; we refer to this approach as \"twistronics\". A major challenge to theory is that, for arbitrary twist angles, the resulting structure involves incommensurate (aperiodic) 2D lattices. Here, we present a general method for the calculation of the electronic density of states of aperiodic 2D layered materials, using parameter-free hamiltonians derived from ab initio density-functional theory. We use graphene, a semimetal, and MoS$_2$, a representative of the transition metal dichalcogenide (TMDC) family of 2D semiconductors, to illustrate the application of our method, which enables fast and efficient simulation of multi-layered stacks in the presence of local disorder and external fields. We comment on the interesting features of their Density of States (DoS) as a function of twist-angle and local configuration and on how these features can be experimentally observed.",
  "revisions": [
    {
      "version": "v1",
      "updated": "2016-11-02T15:16:23.000Z"
    }
  ],
  "analyses": {
    "keywords": [
      "two-dimensional layered structures",
      "electronic properties",
      "twistronics",
      "ab initio density-functional theory",
      "aperiodic 2d layered materials"
    ],
    "note": {
      "typesetting": "TeX",
      "pages": 7,
      "language": "en",
      "license": "arXiv",
      "status": "editable"
    }
  }
}