Unique Omnidirectional Negative Poisson’s Ratio in δ-Phase Carbon Monochalcogenides
Minglei Sun,Udo Schwingenschlögl +1 more
TLDR
In this article, a two-dimensional δ-phase carbon monochalcoated carbon dioxide (CMCO) was proposed for nanomechanical applications using first-principles calculations.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 monochalco...read more
Citations
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Optoelectronic and magnetic properties of transition metals-adsorbed GeC monolayer
TL;DR: In this paper , the optoelectronic and magnetic behaviors of GeC monolayer after transition metals (TMs) adsorption have been systematically discussed using density functional theory.
Journal ArticleDOI
Concurrence of auxetic effect and topological phase transition in a 2D phosphorous nitride
TL;DR: In this paper , a two-dimensional phosphorous nitride monolayer has been shown to undergo a topological phase transition under tensile strain, where the phase transition from the semi-Dirac material to Dirac material is observed at nearly the same critical tensile force as that in auxetic phase transition.
Journal ArticleDOI
Structural, Electronic, and Optical Properties of Hexagonal XC6 (X=N, P, As, and Sb) Monolayers.
TL;DR: Based on first-principles calculations, one novel family of 2D IV-V compounds, XC6 (X = N, P, As and Sb), has been proposed, and these compounds exhibit excellent stability, as determined from the cohesive energies, phonon dispersion analysis, ab initio molecular dynamics (AIMD) simulations and mechanical properties.
References
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Georg Kresse,Daniel P. Joubert +1 more
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