|About this Abstract
||2016 TMS Annual Meeting & Exhibition
||Computational Materials Discovery and Optimization: From 2D to Bulk Materials
||H-2: First Principle Study of Nonlinear Elastic Mechanical Responses of Two-dimensional Stanene
||Zhe Shi, Chandra Veer Singh
|On-Site Speaker (Planned)
Graphene, while exceptionally strong and conductive, has limited use for nanoelectronic devices due to the lack of a desirable intrinsic band gap. This has led researchers to look extensively into other elemental monolayered materials analogous to graphene but with intrinsic gaps to serve as semiconductors. The recent successful synthesis of graphene’s Group IV cousin, stanene, has made researchers wonder the possibility of it replacing graphene in various applications. However, in order for stanene to become this candidate and demonstrate many of its superior properties, its mechanical integrity during operations has to be assured at first. Here, we adopted Density Functional Theory simulations to investigate the nonlinear elastic mechanical response of stanene. It is found that stanene can sustain >15% strain without losing elasticity and >30% deformation without fracture for both uniaxial and biaxial tensile loading, a performance better than graphene. This mechanical behavior is further explained by studying the change of electron densities in response to external stresses through simulated STM imaging and charge density analysis.
||Planned: A print-only volume