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Calculating the Phonon Modes of Graphene Using the 4th Nearest Neighbor Force Constant Method

[+] Author Affiliations
Mikiyas S. Tsegaye, Patrick E. Hopkins, Avik W. Ghosh, Pamela M. Norris

University of Virginia, Charlottesville, VA

Paper No. IMECE2008-66726, pp. 1311-1315; 5 pages
  • ASME 2008 International Mechanical Engineering Congress and Exposition
  • Volume 10: Heat Transfer, Fluid Flows, and Thermal Systems, Parts A, B, and C
  • Boston, Massachusetts, USA, October 31–November 6, 2008
  • Conference Sponsors: ASME
  • ISBN: 978-0-7918-4871-5 | eISBN: 978-0-7918-3840-2
  • Copyright © 2008 by ASME


Graphite has always been a very important material both industrially and academically due to its physical structure. But ever since the isolation of Graphene (a single sheet of Graphite) a few years ago, it’s been one of the most widely studied molecular systems for its potential applications in nano-electronics and other break-through areas. Some of the desirable traits of Graphene are its high thermal and electronic mobility, and its low noise properties. This paper outlines a standard method for calculating phonon dispersion curves in Graphene by making use of force constant measurements. This information is usually obtained from approximations of inter-atomic potentials, which involve derivatives of simplified potential approximations between every atom in Graphene to get the force constant tensors. In this paper, the measured values for the force constants are used in a mathematically rigorous way to calculate the Graphene phonon dispersion curves.

Copyright © 2008 by ASME
Topics: Force , Phonons , Graphene



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