Journal of Physical Chemistry Letters
Journal of Physical Chemistry Letters
5 years ago

Design of Two-Dimensional Graphene-like Dirac Materials β12-XBeB5 (X = H, F, Cl) from Non-graphene-like β12-Borophene

Design of Two-Dimensional Graphene-like Dirac Materials β12-XBeB5 (X = H, F, Cl) from Non-graphene-like β12-Borophene
Shiru Song, Boris I. Yakobson, Ji-Hui Yang, Shixuan Du, Hong-Jun Gao
Two-dimensional (2D) Dirac materials and boron sheets have attracted intensive interest recently. However, 2D Dirac materials remain rare and difficult to be realized experimentally, and 2D boron sheets generally have high dynamical instability. Stimulated by the experimental observation of Dirac cones in nongraphene-like β12 boron sheets and based on the understanding of boron sheet electronic organization, we theoretically design new 2D Dirac materials β12-XBeB5 (X = H, F, Cl) with high stability. We confirm β12-HBeB5 as the global energy minimum among its 2D allotropes based on global structure search methods, a strong indication of its experimental feasibility. Our designed β12-HBeB5 has not only a high Fermi velocity, but also a Dirac state very robust against extraordinary large tensile strains, an advantage for flexible electronics applications. Our work opens a new avenue to designing feasible 2D Dirac materials and stabilizing borophene sheets.

Publisher URL: http://dx.doi.org/10.1021/acs.jpclett.7b02163

DOI: 10.1021/acs.jpclett.7b02163

You might also like
Discover & Discuss Important Research

Keeping up-to-date with research can feel impossible, with papers being published faster than you'll ever be able to read them. That's where Researcher comes in: we're simplifying discovery and making important discussions happen. With over 19,000 sources, including peer-reviewed journals, preprints, blogs, universities, podcasts and Live events across 10 research areas, you'll never miss what's important to you. It's like social media, but better. Oh, and we should mention - it's free.

  • Download from Google Play
  • Download from App Store
  • Download from AppInChina

Researcher displays publicly available abstracts and doesn’t host any full article content. If the content is open access, we will direct clicks from the abstracts to the publisher website and display the PDF copy on our platform. Clicks to view the full text will be directed to the publisher website, where only users with subscriptions or access through their institution are able to view the full article.