Elastic bending modulus for single-layer black phosphorus

Elastic bending modulus of single-layer molybdenum disulfide (MoS2): finite thickness effect.

We derive, from an empirical interaction potential, an analytic formula for the elastic bending modulus of single-layer MoS2 (SLMoS2). By using this approach, we do not need to define or estimate a thickness value for SLMoS2, which is important due to the substantial controversy in defining this value for two-dimensional or ultrathin nanostructures such as graphene and nanotubes. The obtained e...

Mechanical properties of single-layer black phosphorus

The mechanical properties of single-layer black phosphorus under uniaxial deformation are investigated using first-principles calculations. Both the Young’s modulus and ultimate strain are found to be highly anisotropic and nonlinear as a result of its quasi-two-dimensional puckered structure. Specifically, the in-plane Young’s modulus is 41.3 GPa in the direction perpendicular to the pucker an...

Elastic bending modulus of monolayer graphene

An analytic formula is derived for the elastic bending modulus of monolayer graphene based on an empirical potential for solid-state carbon atoms. Two physical origins are identified for the non-vanishing bending stiffness of the atomically thin graphene sheet, one due to the bond-angle effect and the other resulting from the bond-order term associated with the dihedral angles. The analytical p...

Onset of exciton-exciton annihilation in single-layer black phosphorus

Thermal conduction in single-layer black phosphorus: highly anisotropic?

The single-layer black phosphorus is characteristic for its puckered structure, which has led to distinct anisotropy in its optical, electronic, and mechanical properties. We use the non-equilibrium Green's function approach and the first-principles method to investigate the thermal conductance for single-layer black phosphorus in the ballistic transport regime, in which the phonon-phonon scatt...