Two-dimensional Phosphorus Carbide: Competition between sp2 and sp3 Bonding

ORAL

Abstract

We propose previously unknown allotropes of phosphorus carbide (PC) in the stable shape of an atomically thin layer. Different stable geometries, which result from the competition between sp2 bonding found in graphitic C and sp3 bonding found in black P, may be mapped onto 2D tiling patterns that simplify categorizing of the structures. Depending on the category, we identify 2D-PC structures that can be metallic, semi-metallic with an anisotropic Dirac cone, or direct-gap semiconductors with their gap tunable by in-layer strain.

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Presenters

  • Jie Guan

    Southeast University

Authors

  • Jie Guan

    Southeast University

  • Dan Liu

    Physics and Astronomy, Michigan State University, Physics and Astronomy Department, Michigan State University, Michigan State University

  • Zhen Zhu

    Materials Department, University of California - Santa Barbara, Materials, Univ of California - Santa Barbara, University of California, Santa Barbara

  • David Tomanek

    Michigan State Univ, Physics and Astronomy Department, Michigan State University, Physics and Astronomy, Michigan State University, Michigan State University