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Nonequilibrium Green's function method for thermal transport in junctions | | Jian-Sheng Wang
; Nan Zeng
; Jian Wang
; Chee Kwan Gan
; | | Date: |
9 Jan 2007 | | Subject: | Statistical Mechanics | | Abstract: | 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. | | Source: | arXiv, cond-mat/0701164 | | Other source: | [GID 651818] pmid17677241 | | Services: | Forum | Review | PDF | Favorites | |
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