Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides

Minglei Sun; Udo Schwingenschlögl

doi:10.1021/acs.jpcc.0c11555

Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides

Minglei Sun, Udo Schwingenschlögl

Research output: Contribution to journal › Article › peer-review

42 Scopus citations

Abstract

Auxetic materials (negative Poisson’s ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional δ-phase carbon monochalcogenides (δ-CS, δ-CSe, and δ-CTe) with very strong auxeticity. In contrast to the known two-dimensional materials, we find that Poisson’s ratio is negative in all crystal directions. In addition, the δ-phase carbon monochalcogenides turn out to be direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.

Original language	English (US)
Journal	The Journal of Physical Chemistry C
DOIs	https://doi.org/10.1021/acs.jpcc.0c11555
State	Published - Feb 12 2021

Bibliographical note

KAUST Repository Item: Exported on 2021-02-15
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).

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title = "Unique Omnidirectional Negative Poisson{\textquoteright}s Ratio in δ-Phase Carbon Monochalcogenides",

abstract = "Auxetic materials (negative Poisson{\textquoteright}s ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional δ-phase carbon monochalcogenides (δ-CS, δ-CSe, and δ-CTe) with very strong auxeticity. In contrast to the known two-dimensional materials, we find that Poisson{\textquoteright}s ratio is negative in all crystal directions. In addition, the δ-phase carbon monochalcogenides turn out to be direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.",

author = "Minglei Sun and Udo Schwingenschl{\"o}gl",

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AU - Sun, Minglei

AU - Schwingenschlögl, Udo

N1 - KAUST Repository Item: Exported on 2021-02-15 Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST).

PY - 2021/2/12

Y1 - 2021/2/12

N2 - Auxetic materials (negative Poisson’s ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional δ-phase carbon monochalcogenides (δ-CS, δ-CSe, and δ-CTe) with very strong auxeticity. In contrast to the known two-dimensional materials, we find that Poisson’s ratio is negative in all crystal directions. In addition, the δ-phase carbon monochalcogenides turn out to be direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.

AB - Auxetic materials (negative Poisson’s ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional δ-phase carbon monochalcogenides (δ-CS, δ-CSe, and δ-CTe) with very strong auxeticity. In contrast to the known two-dimensional materials, we find that Poisson’s ratio is negative in all crystal directions. In addition, the δ-phase carbon monochalcogenides turn out to be direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.

UR - http://hdl.handle.net/10754/667382

UR - https://pubs.acs.org/doi/10.1021/acs.jpcc.0c11555

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M3 - Article

SN - 1932-7447

JO - The Journal of Physical Chemistry C

JF - The Journal of Physical Chemistry C

ER -

Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides

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