Fig. 2 Phonon band spectrum of
Kagome-PNT.
As the structural and dynamical durability of the fundamental component
is affirmed, the electronic features for the pure Kagome-PNT are
explored. The first feature to assess under the electronic features is
Band structure, which is wielded to express the energy band gap in terms
of allowed and banned bands throughout the symmetry points [45, 46].
Then, the second feature, which also expresses the energy band gap
through Fermi energy level is Density of States (DOS) spectrum. Besides,
the count of usable states where the electrons can prevail can be
outlined from DOS spectrum. These two features are plotted for the pure
Kagome-PNT and represented in Fig. 3. The Fermi energy level
(EF) for the pure Kagome-PNT is reckoned to be -3.337 eV
and the energy gap is ciphered to be 0.805 eV along the gamma (Γ) point.
A feeble decrease in the energy gap is noticed upon comparison to the
formerly performed calculations by Yu et al [47] (PBE-based). This
can be rationalized due to the nanotube form of Kagome-Phosphorene, the
geometry of which in general reduces the energy gap. Moreover, the
energy gap is also reckoned from the DOS spectrum (between -3 and -4 eV,
which upon closer examination will lead to -3.337 eV). A greater number
of states for electron accommodation is apprehended throughout the
energy bands. Further, the subsistence of sharp peaks near the Fermi
energy level favors the proposition of adopting Kagome-PNT as a
chemi-resistive based detector.