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

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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 languageEnglish (US)
JournalThe Journal of Physical Chemistry C
StatePublished - Feb 12 2021


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