Vibrational properties of graphene nanoribbons by first-principles calculations

Gillen R, Mohr M, Thomsen C, Maultzsch J (2009)

Publication Status: Published

Publication Type: Journal article

Publication year: 2009

Journal

Physical Review B American Physical Society

Publisher: AMER PHYSICAL SOC

Book Volume: 80

Journal Issue: 15

DOI: 10.1103/PhysRevB.80.155418

Open Access Link: https://arxiv.org/abs/0905.1035

Abstract

We investigated the vibrational properties of graphene nanoribbons by means of first-principles calculations on the basis of density-functional theory. We confirm that the phonon modes of graphene nanoribbons with armchair- and zigzag-type edges can be interpreted as fundamental oscillations and their overtones. These show a characteristic dependence on the nanoribbon width. Furthermore, we demonstrate that a mapping of the calculated Gamma-point phonon frequencies of nanoribbons onto the phonon dispersion of graphene corresponds to an "unfolding" of nanoribbons' Brillouin zone onto that of graphene. We consider the influence of spin states with respect to the phonon spectra of zigzag nanoribbons and provide comparisons of our results with past studies.

Authors with CRIS profile

Roland Gillen Lehrstuhl für Experimentalphysik Janina Maultzsch Lehrstuhl für Experimentalphysik

Involved external institutions

Technische Universität Berlin DE Germany (DE)

How to cite

APA:

Gillen, R., Mohr, M., Thomsen, C., & Maultzsch, J. (2009). Vibrational properties of graphene nanoribbons by first-principles calculations. Physical Review B, 80(15). https://doi.org/10.1103/PhysRevB.80.155418

MLA:

Gillen, Roland, et al. "Vibrational properties of graphene nanoribbons by first-principles calculations." Physical Review B 80.15 (2009).

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