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Author:

Shang, Ling (Shang, Ling.) | Liu, Peng-Fei (Liu, Peng-Fei.) | Gao, Heng (Gao, Heng.) | Wu, Wei (Wu, Wei.) | Wang, Yin (Wang, Yin.) | Gao, Zhibin (Gao, Zhibin.) | Wang, Bao-Tian (Wang, Bao-Tian.) | Ren, Wei (Ren, Wei.)

Indexed by:

SCIE EI Scopus Web of Science

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.

Keyword:

2D materials biaxial strain Dirac cones phosphorus carbides

Author Community:

  • [ 1 ] [Shang, Ling]Shanghai Univ, Int Ctr Quantum & Mol Struct, Dept Phys, Shanghai 200444, Peoples R China
  • [ 2 ] [Gao, Heng]Shanghai Univ, Int Ctr Quantum & Mol Struct, Dept Phys, Shanghai 200444, Peoples R China
  • [ 3 ] [Wu, Wei]Shanghai Univ, Int Ctr Quantum & Mol Struct, Dept Phys, Shanghai 200444, Peoples R China
  • [ 4 ] [Wang, Yin]Shanghai Univ, Int Ctr Quantum & Mol Struct, Dept Phys, Shanghai 200444, Peoples R China
  • [ 5 ] [Ren, Wei]Shanghai Univ, Int Ctr Quantum & Mol Struct, Dept Phys, Shanghai 200444, Peoples R China
  • [ 6 ] [Shang, Ling]Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
  • [ 7 ] [Liu, Peng-Fei]Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
  • [ 8 ] [Wang, Bao-Tian]Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China
  • [ 9 ] [Shang, Ling]Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China
  • [ 10 ] [Liu, Peng-Fei]Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China
  • [ 11 ] [Wang, Bao-Tian]Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China
  • [ 12 ] [Gao, Zhibin]Xi An Jiao Tong Univ, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China
  • [ 13 ] [Wang, Bao-Tian]Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Peoples R China

Reprint Author's Address:

  • W. Ren;;Department of Physics, International Center of Quantum and Molecular Structures, Shanghai University, Shanghai, 200444, China;;email: renwei@shu.edu.cn;;B.-T. Wang;;Institute of High Energy Physics, Chinese Academy of Sciences (CAS), Beijing, 100049, China;;email: wangbt@ihep.ac.cn;;

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Source :

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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