Atomistic calculation of the thermal conductance of large scale bulk-nanowire junctions

Article

关键词: LATTICE-DYNAMICAL CALCULATION;    SILICON NANOWIRES;    THERMOELECTRIC-MATERIALS;    PHONON-SCATTERING;    TRANSPORT;    CONDUCTIVITY;    RESISTANCE;    SYSTEMS;    WIRES;   

DOI  :  10.1103/PhysRevB.84.115423

来源: SCIE

【 摘 要 】

We have developed a stable and efficient kernel method to compute thermal transport in open systems, based on the scattering-matrix approach. This method is applied to compute the thermal conductance of a junction between bulk silicon and silicon nanowires with diameter up to 10 nm. We have found that beyond a threshold diameter of 7 nm, transmission spectra and contact conductances scale with the cross section of the contact surface, whereas deviations from this general trend are observed in thinner wires. This result allows us to predict the thermal resistance of bulk-nanowire interfaces with larger cross sections than those tractable with atomistic simulations, and indicate the characteristic size beyond which atomistic systems can in principle be treated accurately by mean-field theories. Our calculations also elucidate how dimensionality reduction and shape affect interfacial heat transport.

【 授权许可】

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