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Title: Thermal Conductance of Pristine Amorphous Silicon Nanowires - A Non Equilibrium Green's Function Approach
Keywords: Thermal Conductance, Amorphous Silicon, Greens Function, Metropolis Algorithm, GULP, Transmission
Issue Date: 23-Jul-2009
Citation: JANAKIRAMAN BALACHANDRAN (2009-07-23). Thermal Conductance of Pristine Amorphous Silicon Nanowires - A Non Equilibrium Green's Function Approach. ScholarBank@NUS Repository.
Abstract: The motivation of this work was to obtain the thermal conductance of pristine Amorphous Silicon (a-Si) nanostructures in the ballistic regime (also known as coherent transport) by employing Non Equilibrium Green¿s Function (NEGF) Approach. A model of a-Si junction connected to two semi-infinite leads of Crystalline Silicon (c-Si) was generated by using Stillinger-Weber (S-W) inter-atomic potential and Metropolis Algorithm. Now we solve the system to obtain the Hessian Matrix. Upon obtaining the same, we employ NEGF technique, under steady state conditions in order to compute the thermal conductance (&kappa). The value of &kappa of a-Si is less when compared to its crystalline counterpart due to the lack of long range order. The &kappa increases with increase in the size of the system. Further it increases initially very slowly at very low temperatures and then it increases rapidly for intermediate temperatures and at high temperatures it increases very slowly towards a steady value. The results obtained from this calculation agree qualitatively with the observed phenomenon in actual a-Si systems.
Appears in Collections:Master's Theses (Open)

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