  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.
