Negative poisson’s ratio in single-layer black phosphorus

By Jin-Wu Jiang, Harold S. Park. Nature Communications, 2014

685 citations recorded by the source corpus.

The Poisson’s ratio is a fundamental mechanical property that relates the resulting lateral strain to applied axial strain. Although this value can theoretically be negative, it is positive for nearly all materials, though negative values have been observed in so-called auxetic structures. However, nearly all auxetic materials are bulk materials whose microstructure has been specifically engineered to generate a negative Poisson’s ratio. Here we report using first-principles calculations the existence of a negative Poisson’s ratio in a single-layer, two-dimensional material, black phosphorus. In contrast to engineered bulk auxetics, this behaviour is intrinsic for single-layer black phosphorus, and originates from its puckered structure, where the pucker can be regarded as a re-entrant structure that is comprised of two coupled orthogonal hinges. As a result of this atomic structure, a negative Poisson’s ratio is observed in the out-of-plane direction under uniaxial deformation in the direction parallel to the pucker. Auxetic materials display a negative Poisson’s ratio and are usually observed in engineered structures. Here, the authors observe intrinsic auxetic behaviour in unmodified two-dimensional black phosphorous by first-principles calculations, with the auxetic behaviour resulting from its puckered structure.

Subfields: Materials Chemistry, Sociology and Political Science

View Paper: https://www.semanticscholar.org/paper/6e895a5eebb9f3103e15678f9e1f4ecf676088e8

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In Materials Chemistry

1. Yong‐Wei Zhang
2. Gang Zhang
3. A. Castellanos-Gómez
4. Yongqing Cai
5. Z. Ong
6. V. Sorkin
7. G. Steele
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Citations in the corpus

• The renaissance of black phosphorus (2015, methodology): “ even richer in a black P nanoribbon by controlling the edge to be zigzag or armchair, as well as the functional groups at the edges (46). In addition, new physics, such as a negative Poisson’s ratio (56), and a quasiflat edge band (72) were reported due to the anisotropic honeycomb lattice. Also a ”
• Penta-graphene: A new carbon allotrope (2015, background): “Due to its special atomic configuration, penta-graphene has unusual properties, such as (i) it exhibits NPR, similar to that recently reported in a single-layer black phosphorus sheet (32); (ii) it exhibits ultrahigh ideal strength that can even outperform graphene; (iii) it is semiconducting, thus,”
• Modulation of electronic and mechanical properties of phosphorene through strain (2014, methodology): “[41] is that the obtained equilibrium lattice constants are 10% larger than those previously reported in the literature [9,25,36].”
• Recent Advances in the Study of Phosphorene and its Nanostructures (2017, methodology): “Intriguingly, phosphorene is one of these exceptions.35 Using first principle calculations, Jiang et al.35 found that the Poisson’s ratio is negative when a uniaxial strain was applied along the ZZ direction (the Y-axis, see Figure 13d).”