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Title: Büttiker probes for dissipative phonon quantum transport in semiconductor nanostructures

Journal Article · · Applied Physics Letters
DOI:https://doi.org/10.1063/1.4944329· OSTI ID:22591449
;  [1]; ;  [2];  [3]
  1. School of Electrical and Computer Engineering, Purdue University, West Lafayette, Indiana 47907 (United States)
  2. School of Mechanical Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907 (United States)
  3. Network for Computational Nanotechnology, Purdue University, West Lafayette, Indiana 47907 (United States)

Theoretical prediction of phonon transport in modern semiconductor nanodevices requires atomic resolution of device features and quantum transport models covering coherent and incoherent effects. The nonequilibrium Green's function method is known to serve this purpose well but is numerically expensive in simulating incoherent scattering processes. This work extends the efficient Büttiker probe approach widely used in electron transport to phonons and considers salient implications of the method. Different scattering mechanisms such as impurity, boundary, and Umklapp scattering are included, and the method is shown to reproduce the experimental thermal conductivity of bulk Si and Ge over a wide temperature range. Temperature jumps at the lead/device interface are captured in the quasi-ballistic transport regime consistent with results from the Boltzmann transport equation. Results of this method in Si/Ge heterojunctions illustrate the impact of atomic relaxation on the thermal interface conductance and the importance of inelastic scattering to activate high-energy channels for phonon transport. The resultant phonon transport model is capable of predicting the thermal performance in the heterostructure efficiently.

OSTI ID:
22591449
Journal Information:
Applied Physics Letters, Vol. 108, Issue 11; Other Information: (c) 2016 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0003-6951
Country of Publication:
United States
Language:
English