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

22 December 2020, Version 2
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

If one strains a material, 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, 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.


Keywords

Two-dimensional Materials
auxetic materials
borophene
First-Principle Calculations

Supplementary materials

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