Half-Auxeticity and Anisotropic Transport in Pd Decorated Two-Dimensional Boron Sheets

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • Fengxian Ma - , Hebei Normal University (Author)
  • Yalong Jiao - , TUD Dresden University of Technology (Author)
  • Weikang Wu - , Singapore University of Technology and Design (Author)
  • Ying Liu - , Hebei Normal University (Author)
  • Shengyuan A. Yang - , Singapore University of Technology and Design (Author)
  • Thomas Heine - , Chair of Theoretical Chemistry, Helmholtz-Zentrum Dresden-Rossendorf, Yonsei University (Author)

Abstract

Upon strain, most materials shrink normal to the direction of applied strain. Similarly, if a material is compressed, it will expand in the direction orthogonal to the pressure. Few materials, those of negative Poisson ratio, show the opposite behavior. Here, we show an unprecedented feature, a material that expands normal to the direction of stress, regardless if it is strained or compressed. Such behavior, namely, half-auxeticity, is demonstrated for a borophene sheet stabilized by decorating Pd atoms. We explore Pd-decorated borophene, identify three stable phases of which one has this peculiar property of half auxeticity. After carefully analyzing stability and mechanical and electronic properties we explore the origin of this very uncommon behavior and identify it as a structural feature that may also be employed to design further 2D nanomaterials.

Details

Original languageEnglish
Pages (from-to)2356-2362
Number of pages7
JournalNano letters
Volume21
Issue number6
Publication statusPublished - 24 Mar 2021
Peer-reviewedYes

External IDs

PubMed 33656900

Keywords

Keywords

  • auxetic materials, borophene, buckling structure, first-principle calculations, two-dimensional materials