Phonon transport properties of phosphorene

What is it about?

We calculate the intrinsic lattice thermal conductivity of phosphorene by solving the phonon Boltzmann transport equation (BTE) based on first-principles calculations. The thermal conductivity of phosphorene at 300 K is 30.15 W m−1 K−1 (zigzag) and 13.65 W m−1 K−1 (armchair), showing an obvious anisotropy along different directions.

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Why is it important?

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. What we do addresses this issue.