Electron-phonon interactions for optical-phonon modes in few-layer graphene: First-principles calculations

Citation:
Yan, JA, Ruan WY, Chou MY.  2009.  Electron-phonon interactions for optical-phonon modes in few-layer graphene: First-principles calculations, Mar. Physical Review B. 79:6., Number 11

Abstract:

We present a first-principles study of the electron-phonon (e-ph) interactions and their contributions to the linewidths for the optical-phonon modes at Gamma and K in one-layer to three-layer graphene. It is found that, due to the interlayer coupling and the stacking geometry, the high-frequency optical-phonon modes in few-layer graphene couple with different valence and conduction bands, giving rise to different e-ph interaction strengths for these modes. Some of the multilayer optical modes derived from the Gamma-E(2g) mode of monolayer graphene exhibit slightly higher frequencies and much reduced linewidths. In addition, the linewidths of K-A(1)(') related modes in multilayers depend on the stacking pattern and decrease with increasing layer numbers.

Notes:

ISI Document Delivery No.: 427GXTimes Cited: 9Cited Reference Count: 37Cited References: Park CH, 2008, NANO LETT, V8, P4229, DOI 10.1021/nl801884n Gonzalez J, 2008, PHYS REV LETT, V101 Hwang EH, 2008, PHYS REV LETT, V101 Yan J, 2008, PHYS REV LETT, V101 Zhou SY, 2008, PHYS REV LETT, V101 Tse WK, 2008, PHYS REV LETT, V101 Hwang EH, 2008, PHYS REV B, V77 Yan JA, 2008, PHYS REV B, V77, DOI 10.1103/PhysRevB.77.125401 Calandra M, 2007, PHYS REV B, V76, DOI 10.1103/PhysRevB.76.205411 Bonini N, 2007, PHYS REV LETT, V99 Park CH, 2007, PHYS REV LETT, V99 Bostwick A, 2007, SOLID STATE COMMUN, V143, P63, DOI 10.1016/j.ssc.2007.04.034 Ferrari AC, 2007, SOLID STATE COMMUN, V143, P47, DOI 10.1016/j.ssc.2007.03.052 Ohta T, 2007, PHYS REV LETT, V98 Yan J, 2007, PHYS REV LETT, V98 Akhmerov AR, 2007, PHYS REV LETT, V98 Rycerz A, 2007, NAT PHYS, V3, P172, DOI 10.1038/nphys547 Giustino F, 2007, PHYS REV LETT, V98 Ohta T, 2006, SCIENCE, V313, P951, DOI 10.1126/science.1130681 Latil S, 2006, PHYS REV LETT, V97, DOI 10.1103/PhysRevLett.97.036803 Lazzeri M, 2006, PHYS REV B, V73, DOI 10.1103/PhysRevB.73.155426 Lazzeri M, 2005, PHYS REV LETT, V95, DOI 10.1103/PhysRevLett.95.236802 Kampfrath T, 2005, PHYS REV LETT, V95, DOI 10.1103/PhysRevLett.95.187403 Zhang YB, 2005, APPL PHYS LETT, V86, DOI 10.1063/1.1862334 Berger C, 2004, J PHYS CHEM B, V108, P19912, DOI 10.1021/jp040650f Piscanec S, 2004, PHYS REV LETT, V93, DOI 10.1103/PhysRevLett.93.185503 Novoselov KS, 2004, SCIENCE, V306, P666, DOI 10.1126/science.1102896 Mahan GD, 2003, PHYS REV B, V68, DOI 10.1103/PhysRevB.68.125409 Baroni S, 2001, REV MOD PHYS, V73, P515, DOI 10.1103/RevModPhys.73.515 Woods LM, 2000, PHYS REV B, V61, P10651, DOI 10.1103/PhysRevB.61.10651 Yao Z, 2000, PHYS REV LETT, V84, P2941, DOI 10.1103/PhysRevLett.84.2941 TROULLIER N, 1991, PHYS REV B, V43, P1993, DOI 10.1103/PhysRevB.43.1993 MENENDEZ J, 1984, PHYS REV B, V29, P2051, DOI 10.1103/PhysRevB.29.2051 GRIMVALL G, 1981, ELECT PHONON INTERAC NEMANICH RJ, 1977, SOLID STATE COMMUN, V23, P117, DOI 10.1016/0038-1098(77)90663-9 ALLEN PB, 1974, PHYS REV B, V9, P4733, DOI 10.1103/PhysRevB.9.4733 ALLEN PB, 1972, PHYS REV B, V6, P2577, DOI 10.1103/PhysRevB.6.2577Yan, Jia-An Ruan, W. Y. Chou, M. Y.Department of Energy[DEFG02-97ER45632]; National Science Foundation[DMR-08-20382]; National Energy Research Scientific Computing Center (NERSC); U. S. Department of Energy[DE-AC03-76SF00098]; National Science Foundation Teragrid resourcesWe acknowledge helpful discussions with M. Wierzbowska and S. Piscanec. J. A. Y thanks F. Giustino and C.- H. Park for critical reading of the manuscript. This work is supported by the Department of Energy (Grant No. DEFG02-97ER45632) and by the National Science Foundation (Grant No. DMR-08-20382). The computation used resources of the National Energy Research Scientific Computing Center (NERSC), which is supported by the U. S. Department of Energy (Grant No. DE-AC03-76SF00098), and the National Science Foundation Teragrid resources.AMER PHYSICAL SOCCOLLEGE PK

Website