2010/07/21 by Wu Li, Hâldun Sevinçli, Haldun Sevincli +2 · 1 citation
Materials Science · Physics and Astronomy · #Advanced Thermoelectric Materials and Devices #Condensed matter physics #Conductance #Graphene #Graphene nanoribbons #Graphene research and applications #Materials science #Nanotechnology #Phonon #Phonon scattering #Physics #Quantum mechanics #Scattering #Thermal conductivity #Thermal properties of materials #Thermodynamics #cond-mat.dis-nn #cond-mat.mes-hall #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.82.041410
published as Phys. Rev. B 82, 041410(R) (2010) · Accepted for publication in Physical Review B - Rapid Communications
arxiv created 2010/07/21 · openalex publication_date 2010/07/23 · arxiv updated 2010/07/26 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
We have developed an efficient order-N real-space Kubo approach for the calculation of the phonon conductivity which outperforms state-of-the-art alternative implementations based on the Green's function formalism. The method treats efficiently the time-dependent propagation of phonon wave packets in real space, and this dynamics is related to the calculation of the thermal conductance. Without loss of generality, we validate the accuracy of the method by comparing the calculated phonon mean free paths in disordered carbon nanotubes (isotope impurities) with other approaches, and further illustrate its upscalability by exploring the thermal conductance features in large width edge-disordered graphene nanoribbons (up to \ensuremath∼20 nm), which is out of the reach of more conventional techniques. We show that edge disorder is the most important scattering mechanism for phonons in graphene nanoribbons with realistic sizes and thermal conductance can be reduced by a factor of \ensuremath∼10.