Strongly anisotropic in-plane thermal transport in single-layer black phosphorene
نویسندگان
چکیده
Using first principles calculations, we predict the thermal conductivity of the two-dimensional materials black phosphorene and blue phosphorene. Black phosphorene has an unprecedented thermal conductivity anisotropy ratio of three, with predicted values of 110 W/m-K and 36 W/m-K along its armchair and zigzag directions at a temperature of 300 K. For blue phosphorene, which is isotropic with a zigzag structure, the predicted value is 78 W/m-K. The two allotropes show strikingly different thermal conductivity accumulation, with phonons of mean free paths between 10 nm and 1 μm dominating in black phosphorene, while a much narrower band of mean free paths (50-200 nm) dominate in blue phosphorene. Black phosphorene shows intriguing potential for strain-tuning of its thermal conductivity tensor.
منابع مشابه
Anisotropic intrinsic lattice thermal conductivity of phosphorene from first principles.
Phosphorene, the single layer counterpart of black phosphorus, is a novel two-dimensional semiconductor with high carrier mobility and a large fundamental direct band gap, which has attracted tremendous interest recently. Its potential applications in nano-electronics and thermoelectrics call for fundamental study of the phonon transport. Here, we calculate the intrinsic lattice thermal conduct...
متن کاملThermal 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...
متن کاملAnisotropic bias dependent transport property of defective phosphorene layer
Phosphorene is receiving great research interests because of its peculiar physical properties. Nonetheless, no systematic studies on the transport properties modified due to defects have been performed. Here, we present the electronic band structure, defect formation energy and bias dependent transport property of various defective systems. We found that the defect formation energy is much less...
متن کاملThermal conductivity of a two-dimensional phosphorene sheet: a comparative study with graphene.
A recently discovered two-dimensional (2D) layered material phosphorene has attracted considerable interest as a promising p-type semiconducting material. In this work, thermal conductivity (κ) of monolayer phosphorene is calculated using large-scale classical non-equilibrium molecular dynamics (NEMD) simulations. The predicted thermal conductivities for infinite length armchair and zigzag phos...
متن کاملPhosphorene: Fabrication, Properties, and Applications.
Phosphorene, the single- or few-layer form of black phosphorus, was recently rediscovered as a two-dimensional layered material holding great promise for applications in electronics and optoelectronics. Research into its fundamental properties and device applications has since seen exponential growth. In this Perspective, we review recent progress in phosphorene research, touching upon topics o...
متن کامل