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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.
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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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