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.