Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene

Cheol-Hwan Park; Nicola Bonini; Thibault Sohier; Georgy Samsonidze; Boris Kozinsky; Matteo Calandra; Francesco Mauri; Nicola Marzari

doi:10.1021/nl402696q

arXiv · 1403.4603

Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene

Cheol-Hwan Park·Nicola Bonini·Thibault Sohier·Georgy Samsonidze·Boris Kozinsky·Matteo Calandra·Francesco Mauri·Nicola Marzari

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Abstract

We present a first-principles study of the temperature- and density-dependent intrinsic electrical resistivity of graphene. We use density-functional theory and density-functional perturbation theory together with very accurate Wannier interpolations to compute all electronic and vibrational properties and electron-phonon coupling matrix elements; the phonon-limited resistivity is then calculated within a Boltzmann-transport approach. An effective tight-binding model, validated against first-principles results, is also used to study the role of electron-electron interactions at the level of many-body perturbation theory. The results found are in excellent agreement with recent experimental data on graphene samples at high carrier densities and elucidate the role of the different phonon modes in limiting electron mobility. Moreover, we find that the resistivity arising from scattering with transverse acoustic phonons is 2.5 times higher than that from longitudinal acoustic phonons. Last, high-energy, optical, and zone-boundary phonons contribute as much as acoustic phonons to the intrinsic electrical resistivity even at room temperature and become dominant at higher temperatures.

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Cheol-Hwan Park, Nicola Bonini, Thibault Sohier, Georgy Samsonidze, Boris Kozinsky, Matteo Calandra, Francesco Mauri, Nicola Marzari. 2014-03-18. Electron-Phonon Interactions and the Intrinsic Electrical Resistivity of Graphene. https://doi.org/10.1021/nl402696q

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