期刊
PHYSICS LETTERS A
卷 381, 期 41, 页码 3553-3557出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.physleta.2017.08.057
关键词
Boron nitride; Discrete breather; Molecular dynamics; Lattice dynamics; Extended nonlinear vibrational mode
资金
- Russian Foundation for Basic Research [17-02-00984]
- Russian Science Foundation [16-12-10175, 14-13-00982]
- Russian Science Foundation [16-12-10175, 17-13-00090] Funding Source: Russian Science Foundation
Linear and nonlinear dynamics of hexagonal boron nitride (h-BN) lattice is studied by means of molecular dynamics simulations with the use of the Tersoff interatomic potentials. It is found that sufficiently large homogeneous elastic strain along zigzag direction opens a wide gap in the phonon spectrum. Extended vibrational mode with boron and nitrogen sublattices vibrating in-plane as a whole in strained h-BN has frequency within the phonon gap. This fact suggests that a nonlinear spatially localized vibrational mode with frequencies in the phonon gap, called discrete breather (also often termed as intrinsic localized mode), can be excited. Properties of the gap discrete breathers in strained h-BN are contrasted with that for analogous vibrational mode found earlier in strained graphene. It is found that h-BN modeled with the Tersoff potentials does not support transverse discrete breathers. (C) 2017 Elsevier B.V. All rights reserved.
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