期刊
JOURNAL OF PHYSICAL CHEMISTRY C
卷 125, 期 7, 页码 4133-4138出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpcc.0c11555
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资金
- King Abdullah University of Science and Technology (KAUST)
The two-dimensional delta-phase carbon monochalcogenides exhibit very strong auxetic properties, with negative Poisson's ratio in all crystal directions. Furthermore, they are direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.
Auxetic materials (negative Poisson's ratio) are of exceptional importance for nanomechanical applications. Using first-principles calculations, we propose two-dimensional delta-phase carbon monochalcogenides (delta-CS, delta-CSe, and delta-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 d-phase carbon monochalcogenides turn out to be direct or quasi-direct bandgap semiconductors with impressive absorption of solar radiation.
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