Performance analysis of uniaxially strained monolayer black phosphorus and blue phosphorus n-MOSFET and p-MOSFET

We present a computational study on the possibility of strain engineering in monolayer black phosphorus (black P)- and blue phosphorus (blue P)-based metal-oxide-semiconductor field-effect transistors (MOSFETs). Material properties such as the band structure, carrier effective masses, and carrier densities at band extrema were evaluated using the generalized gradient approximation in density functional theory. Thereafter, self-consistent nonequilibrium Green's function simulations were carried out to study device performance metrics such as output characteristics, ON-currents, transconductance, etc. of such strained black-P- and blue-P-based MOSFETs. Our simulations show that the carrier effective masses in blue P are more sensitive to strain applied in both zigzag and armchair direction. Blue P is more responsive to strain engineering for n- and p-MOS structures. Overall, except for black-P-based FETs with strain in armchair direction, the blue P (black P)-based n-MOSFET (p-MOSFET) shows moderate to significant improvement in performance with tensile (compressive) strain in the transport direction.