Nonequilibrium dynamics of electrons and phonons: tailoring the transport properties of Carbon Nanotubes with encapsulated nanowires.

Rapid saturation of electronic current in carbon nanotubes (CNTs) under bias voltage has been observed in several recent experimental and theoretical studies [1-5] This effect, caused by scattering with lattice vibrations, limits otherwise promising applications of CNTs in nanoelectronics. Here we propose a mechanism to enhancement electrical performance of metallic CNTs by encapsulation of one-dimensional nanowires. Although experimental studies of such structures are increasingly common [6-9], our first-principles study combined with the coupled electron-phonon dynamics is the first to explicitly demonstrate their enhanced functional performance relative to an empty metallic CNT. References: [1] A. Javey et al Phys. Rev. Lett., 92(10):106804, 2004. [2] J.-Y. Park et al Nano Lett., 4(3):517, 2004. [3] Z. Yao et al. Phys. Rev. Lett., 84(13):2941, 2000. [4] M. Amer et al Nano Res., 5(3):172, 2012. [5] M. Lazzeri et al. Phys. Rev. Lett., 95(23):236802, 2005. [6] J. H. Spencer et al ACS Nano, 8(9):9044, 2014.[7] R. Carter et al Dalton Transactions, 43(20):7391, 2014.[8] E. Philp et al Nat Mater, 2(12):788, 2003.[9] R. Senga et al. Nat Mater, 13(11): 1050, 2014.