Lattice vibration and thermodynamical properties of a single-layergraphene in the presence of vacancy defects

doi:10.1088/1674-1056/26/3/036303

Abstract The phonon density of states (PDOS) and the thermodynamical properties including the heat capacity, the free energy, and the entropy of a single-layer graphene with vacancy defects have been studied theoretically. We first analytically derive the general formula of the lattice vibration frequency, and then numerically discuss the effect of the defects on the PDOS. Our results suggest that the vacancy defects will induce the sawtooth-like oscillation of the PDOS and the specific oscillation patterns depend on the concentration and the spatial distribution of the vacancies. In addition, it is verified that the vacancy defects will cause the increase of the heat capacity because of the vacancy-induced low-frequency resonant peak. Moreover, the influences of the vacancies on the free energy and the entropy are investigated.

Keywords: phonons in graphene thermal properties defects

Received: 13 September 2016
Revised: 11 December 2016
Accepted manuscript online:

PACS:	63.22.Rc	(Phonons in graphene)
	65.80.Ck	(Thermal properties of graphene)
	61.72.-y	(Defects and impurities in crystals; microstructure)

Fund: Project supported by the National Natural Science Foundation of China (Grant Nos. 11404155 and 11274040).

Corresponding Authors: Zeng-Tao Lv
E-mail: lvzengtao@lcu.edu.cn

Cite this article:

Sha Li(黎莎), Zeng-Tao Lv(吕增涛) Lattice vibration and thermodynamical properties of a single-layergraphene in the presence of vacancy defects 2017 Chin. Phys. B 26 036303

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Lattice vibration and thermodynamical properties of a single-layergraphene in the presence of vacancy defects

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