Nonequilibrium Green's function method for thermal transport in junctions
统计力学
2011-11-09 v1
摘要
We present a detailed treatment of the nonequilibrium Green's function method for thermal transport due to atomic vibrations in nanostructures. Some of the key equations, such as self-energy and conductance with nonlinear effect, are derived. A self-consistent mean-field theory is proposed. Computational procedures are discussed. The method is applied to a number of systems including one-dimensional chains, a benzene ring junction, and carbon nanotubes. Mean-field calculations of the Fermi-Pasta-Ulam model are compared with classical molecular dynamics simulations. We find that nonlinearity suppresses thermal transport even at moderately high temperatures.
引用
@article{arxiv.cond-mat/0701164,
title = {Nonequilibrium Green's function method for thermal transport in junctions},
author = {Jian-Sheng Wang and Nan Zeng and Jian Wang and Chee Kwan Gan},
journal= {arXiv preprint arXiv:cond-mat/0701164},
year = {2011}
}
备注
14 pages, 10 figures