Thermal boundary resistance predictions with non-equilibrium Green's function and molecular dynamics simulations

18 Nov 2019 Chu Yuanchen Shi Jingjing Miao Kai Zhong Yang Sarangapani Prasad Fisher Timothy S. Klimeck Gerhard Ruan Xiulin Kubis Tillmann

The non-equilibrium Green's function (NEGF) method with B\"uttiker probe scattering self-energies is assessed by comparing its predictions for the thermal boundary resistance with molecular dynamics (MD) simulations. For simplicity, the interface of Si/heavy-Si is considered, where heavy-Si differs from Si only in the mass value... (read more)

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  • APPLIED PHYSICS