Few-layer black phosphorus has recently emerged as a promising candidate for novel electronic and optoelectronic device. Here we demonstrate by first-principles calculations and Boltzmann theory that, black phosphorus could also have potential thermoelectric applications and a fair ZT value of 1.1 can be achieved at elevated temperature. Moreover, such value can be further increased to 5.4 by substituting P atom with Sb atom, giving nominal formula of P0.75Sb0.25. Our theoretical work suggests that high thermoelectric performance can be achieved without using complicated crystal structure or seeking for low-dimensional systems.
@article{arxiv.1508.06834,
title = {High thermoelectric performance can be achieved in black phosphorus},
author = {J. Zhang and H. J. Liu and L. Cheng and J. Wei and J. H. Liang and D. D. Fan and P. H. Jiang and L. Sun and J. Shi},
journal= {arXiv preprint arXiv:1508.06834},
year = {2016}
}