Directional anisotropy, finite size effect and elastic properties of hexagonal boron nitride

• Published in: Journal of physics. Condensed matter Vol. 28; no. 29; pp. 295302 - 295314
• Main Authors: Thomas, Siby, Ajith, K M, Valsakumar, M C
• Format: Journal Article
• Language: English
• Published: England IOP Publishing 27.07.2016
• Subjects: Anisotropy; Bending; bending rigidity; Boron nitride; classical molecular dynamics; Condensed matter; Dynamical systems; Elastic constants; h-BN; Mathematical analysis; sound velocities; Two dimensional

Classical molecular dynamics simulations have been performed to analyze the elastic and mechanical properties of two-dimensional (2D) hexagonal boron nitride (h-BN) using a Tersoff-type interatomic empirical potential. We present a systematic study of h-BN for various system sizes. Young's modu...