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Uniaxial strain-induced Kohn anomaly and electron-phonon coupling in acoustic phonons of graphene

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arxiv 1607.04672 v1 pith:UF2VAZQA submitted 2016-07-15 cond-mat.mes-hall

Uniaxial strain-induced Kohn anomaly and electron-phonon coupling in acoustic phonons of graphene

classification cond-mat.mes-hall
keywords couplinggraphenee-phphononkohnanomalybranchstrain
verification ladder T0 review T1 audit T2 compute T3 formal T4 reserved
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Recent advances in strain engineering at the nanoscale have shown the feasibility to modulate the properties of graphene. Although the electron-phonon (e-ph) coupling and Kohn anomalies in graphene define the phonon branches contributing to the resonance Raman scattering, and is relevant to the electronic and thermal transport as a scattering source, the evolution of the e-ph coupling as a function of strain has been less studied. In this work, the Kohn anomalies and the e-ph coupling in uniaxially strained graphene along armchair (AC) and zigzag (ZZ) directions were studied by means of density functional perturbation theory calculations. In addition to the phonon anomaly at the transversal optical (TO) phonon branch in the K point for pristine graphene, we found that uniaxial strain induces a discontinuity in the frequency derivative of the longitudinal acoustic (LA) phonon branch. This behavior corresponds to the emergence of a Kohn anomaly, as a consequence of a strain-enhanced e-ph coupling. Thus, the present results for uniaxially strained graphene contrast with the commonly assumed view that the e-ph coupling around the K point is only present in the TO phonon branch.

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