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Abstract:
2D materials with Dirac cones, which show a linear band character near the Fermi level, exhibit many novel properties. Herein, based on first-principles calculations, the 2D phosphorus carbide ( PC 5 ) monolayer is studied systematically. The stability is examined by calculating the formation energy, phonon dispersion, and elastic constants as well as by performing ab initio molecular dynamics (AIMD) simulations. Due to the similarity of its structure to that of graphene, one Dirac cone is exactly located at the Fermi level, which is very robust against external biaxial and uniaxial strains. Treating the PC 5 monolayer as graphene with doped P atoms along the armchair direction, a 3 N rule is found similar to that of graphene nanoribbons with armchair edges. These physical properties make the PC 5 monolayer a promising 2D material for emerging electronics applications.
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PHYSICA STATUS SOLIDI-RAPID RESEARCH LETTERS
ISSN: 1862-6254
Year: 2021
Issue: 3
Volume: 16
2 . 8 2 1
JCR@2020
ESI Discipline: PHYSICS;
ESI HC Threshold:26
CAS Journal Grade:3
Cited Count:
WoS CC Cited Count: 1
SCOPUS Cited Count: 5
ESI Highly Cited Papers on the List: 0 Unfold All
WanFang Cited Count:
Chinese Cited Count:
30 Days PV: 5
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