scholarly journals Large piezoelectric and thermal expansion coefficients with negative Poisson's ratio in strain-modulated tellurene

2021 ◽  
Author(s):  
Parrydeep Kaur Sachdeva ◽  
Shuchi Gupta ◽  
Chandan Bera
Keyword(s):  
Thermal Expansion ◽  
Poisson’S Ratio ◽  
Piezoelectric Properties ◽  
Poisson's Ratio ◽  
Large Temperature ◽  
Negative Poisson’S Ratio ◽  
Temperature Dependent ◽  
Thermal Expansion Coefficients ◽  
Negative Poisson's Ratio ◽  
Expansion Coefficients

2D tellurene monolayer exhibits excellent piezoelectric properties and an anomalous negative Poisson's ratio under the effect of strain. Tellurene having puckered structure has a large temperature dependent expansion.

scholarly journals Temperature-dependent negative Poisson’s ratio of monolayer graphene: Prediction from molecular dynamics simulations

2019 ◽  
Vol 8 (1) ◽  
pp. 415-421 ◽  
Author(s):  
Yin Fan ◽  
Yang Xiang ◽  
Hui-Shen Shen
Keyword(s):  
Molecular Dynamics ◽  
Graphene Sheet ◽  
Poisson’S Ratio ◽  
Poisson's Ratio ◽  
Monolayer Graphene ◽  
Pristine Graphene ◽  
Negative Poisson’S Ratio ◽  
Temperature Dependent ◽  
Free Standing ◽  
Negative Poisson's Ratio

Abstract A temperature-dependent intrinsic property of monolayer graphene, the negative Poisson’s ratio (NPR), is investigated in the present study. The classical molecular dynamics (MD) method is employed and the Erhart-Albe hybrid potential, i.e. the combination of the reactive empirical bond order (REBO) and the Tersoff potentials, is used for the graphene sheet in the numerical simulation. In the simulation process, the graphene sheet is assumed to be free standing with in-plane periodical boundary condition and under an ambient temperature up to 1000 K. Our study shows that the graphene NPR is decreased with the increase of temperature. Besides, we also perform the simulation of the graphene negative temperature expansion coefficient (NTEC) as an indirect validation of the present MD model. The characteristics of the nonlinear variations for both the NPR and the NTEC of a pristine graphene sheet are investigated. Our MD results at low temperature (0.1 K) further prove the intrinsic and anisotropic property of NPR for graphene.

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