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Thermal transport in isotopically disordered carbon nanotubes
Gabriel Stoltz, Michele Lazzeri, Francesco Mauri
We present a study of the phononic thermal conductivity of isotopically disordered carbon nanotubes. In particular, the behavior of the thermal conductivity as a function of the sy…
Impact of the electron-electron correlation on phonon dispersions: failure of LDA and GGA functionals in graphene and graphite
Michele Lazzeri, Claudio Attaccalite, Ludger Wirtz +1
We compute electron-phonon coupling (EPC) of selected phonon modes in graphene and graphite using various ab-initio methods. The inclusion of non-local exchange-correlation effects…
Structure, Stability, Edge States and Aromaticity of Graphene Ribbons
Tobias Wassmann, Ari P. Seitsonen, A. Marco Saitta +2
We determine the stability, the geometry, the electronic and magnetic structure of hydrogen-terminated graphene-nanoribbons edges as a function of the hydrogen content of the envir…