TY - JOUR
T1 - Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides
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
U2 - 10.1021/acs.jpcc.0c11555
DO - 10.1021/acs.jpcc.0c11555
M3 - Article
SN - 1932-7447
JO - The Journal of Physical Chemistry C
JF - The Journal of Physical Chemistry C
ER -