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Author:

Zhang, Yang (Zhang, Yang.) | Kang, Jun (Kang, Jun.) | Zheng, Fan (Zheng, Fan.) | Gao, Peng-Fei (Gao, Peng-Fei.) | Zhang, Sheng-Li (Zhang, Sheng-Li.) | Wang, Lin-Wang (Wang, Lin-Wang.)

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Abstract:

Two-dimensional (2D) Dirac cone materials exhibit linear energy dispersion at the Fermi level, where the effective masses of carriers are very close to zero and the Fermi velocity is ultrahigh, only 2-3 orders of magnitude lower than the light velocity. Such Dirac cone materials have great promise in high-performance electronic devices. Herein, we have employed the genetic algorithm methods combined with first-principles calculations to propose a new 2D anisotropic Dirac cone material, an orthorhombic boron phosphide (BP) monolayer named borophosphene. Molecular dynamics simulation and phonon dispersion have been used to evaluate the dynamic and thermal stability of borophosphene. Because of the unique arrangements of B-B and P-P dimers, the mechanical and electronic properties are highly anisotropic. Of great interest is the fact that the Dirac cone of the borophosphene is robust, independent of in-plane biaxial and uniaxial strains, and can also be observed in its one-dimensional zigzag nanoribbons and armchair nanotubes. The Fermi velocities are â105 m/s, on the same order of magnitude as that of graphene. By using a tight-binding model, the origin of the Dirac cone of borophosphene is analyzed. Moreover, a unique feature of self-doping can be induced by the in-plane biaxial and uniaxial strains of borophosphene and the curvature effect of nanotubes, which is greatly beneficial for realizing high-speed carriers (holes). Our results suggest that the borophosphene holds great promise for high-performance electronic devices, which could promote experimental and theoretical studies for further exploring the potential applications of other 2D Dirac cone sheets. Copyright © 2019 American Chemical Society.

Keyword:

Anisotropy Calculations Dimers Dispersions Electronic equipment Electronic properties Genetic algorithms III-V semiconductors Molecular dynamics Monolayers Nanotubes Thermodynamic stability Thermoelectric equipment Velocity

Author Community:

  • [ 1 ] [Zhang, Yang]Ministry of Education Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Department of Applied Physics, School of Science, Xi'an Jiaotong University, Xi'an; 710049, China; Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley; CA; 94720, United States
  • [ 2 ] [Kang, Jun]Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley; CA; 94720, United States
  • [ 3 ] [Zheng, Fan]Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley; CA; 94720, United States
  • [ 4 ] [Gao, Peng-Fei]Ministry of Education Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Department of Applied Physics, School of Science, Xi'an Jiaotong University, Xi'an; 710049, China
  • [ 5 ] [Zhang, Sheng-Li]Ministry of Education Key Laboratory for Nonequilibrium Synthesis and Modulation of Condensed Matter, Department of Applied Physics, School of Science, Xi'an Jiaotong University, Xi'an; 710049, China
  • [ 6 ] [Wang, Lin-Wang]Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley; CA; 94720, United States
  • [ 7 ] [Zhang, Yang]Xi An Jiao Tong Univ, Key Lab Nonequilibrium Synth & Modulat Condensed, Minist Educ, Dept Appl Phys,Sch Sci, Xian 710049, Shaanxi, Peoples R China
  • [ 8 ] [Gao, Peng-Fei]Xi An Jiao Tong Univ, Key Lab Nonequilibrium Synth & Modulat Condensed, Minist Educ, Dept Appl Phys,Sch Sci, Xian 710049, Shaanxi, Peoples R China
  • [ 9 ] [Zhang, Sheng-Li]Xi An Jiao Tong Univ, Key Lab Nonequilibrium Synth & Modulat Condensed, Minist Educ, Dept Appl Phys,Sch Sci, Xian 710049, Shaanxi, Peoples R China
  • [ 10 ] [Zhang, Yang]Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
  • [ 11 ] [Kang, Jun]Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
  • [ 12 ] [Zheng, Fan]Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA
  • [ 13 ] [Wang, Lin-Wang]Lawrence Berkeley Natl Lab, Mat Sci Div, Berkeley, CA 94720 USA

Reprint Author's Address:

  • [Wang, Lin-Wang]Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley; CA; 94720, United States;;

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Source :

Journal of Physical Chemistry Letters

Year: 2019

Issue: 21

Volume: 10

Page: 6656-6663

6 . 7 1

JCR@2019

6 . 4 7 5

JCR@2020

ESI Discipline: CHEMISTRY;

ESI HC Threshold:104

JCR Journal Grade:4

CAS Journal Grade:1

Cited Count:

WoS CC Cited Count: 22

SCOPUS Cited Count: 58

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 9

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