Singular behavior of the Debye-Waller factor of graphene

被引:71
作者
Tewary, V. K. [1 ]
Yang, B. [2 ]
机构
[1] Natl Inst Stand & Technol, Div Mat Reliabil, Boulder, CO 80305 USA
[2] Florida Inst Technol, Dept Mech & Aerosp Engn, Melbourne, FL 32901 USA
来源
PHYSICAL REVIEW B | 2009年 / 79卷 / 12期
关键词
Debye temperature; Debye-Waller factors; graphene; mean square error methods; phonons; GRAPHITE INTERCALATION COMPOUNDS;
D O I
10.1103/PhysRevB.79.125416
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
It is shown that the mean-square displacement or the exponent of the Debye-Waller factor of graphene has a singularity except at zero temperature. The zero-temperature values of the mean-square displacement are calculated separately for planar and out-of-plane phonon modes for graphene. These values give the Debye-Waller factor that can be used to model various scattering processes at temperatures much lower than the Debye temperature of graphene. Since the Debye temperature of graphene is about 2300 K for planar modes, the calculated values should provide a useful estimate of the Debye-Waller factor at temperatures of practical interest. Finally, it is shown qualitatively that the singularity can be removed by accounting for the finite size of real graphene crystals.
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页数:5
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