The ability to directly monitor the states of electrons
in modern
field-effect transistors (FETs) could transform our understanding
of the physics and improve the function of related devices. In particular,
phosphorene allotropes present a fertile landscape for the development
of high-performance FETs. Using density functional theory-based methods,
we have systematically investigated the influence of electrostatic
gating on the structures, stabilities, and fundamental electronic
properties of pristine and carbon-doped monolayer (bilayer) phosphorene
allotropes. The remarkable flexibility of phosphorene allotropes,
arising from intra- and interlayer van der Waals interactions, causes
a good resilience up to equivalent gate potential of two electrons
per unit cell. The resilience depends on the stacking details in such
a way that rotated bilayers show considerably higher thermodynamical
stability than the unrotated ones, even at a high gate potential.
In addition, a semiconductor to metal phase transition is observed
in some of the rotated and carbon-doped structures with increased
electronic transport relative to graphene in the context of real space
Green’s function formalism.