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Title: Steady-state transport properties of anharmonic systems
Keywords: Quantum master equation, Modified Redfield solution, molecular junctions, phononics, spin drift-diffusion, spintronics
Issue Date: 18-Jan-2013
Citation: THINGNA JUZAR YAHYA (2013-01-18). Steady-state transport properties of anharmonic systems. ScholarBank@NUS Repository.
Abstract: In this thesis we first focus on the reduced density matrix of an anharmonic system weakly connected to multiple heat baths. We show that the steady-state perturbative master equations are correct only up to second order in system-bath coupling and propose a novel modified Redfield solution (MRS) to capture the second order steady state effects. Next, we study phononics and develop two sui generis formulations to deal with anharmonic molecular junctions. Firstly, a weak-coupling formulation to study steady state and transient currents is developed. Secondly, nonequilibrium Green?s function techniques are employed to overcome the weak system-bath coupling approximation. Several examples and validations are provided for the proposed theories. Lastly, we study spin transport in: magnetic insulators using the MRS to analyze effects of system size and magnetic field and; semiconductors using the semi-classical spin drift-diffusion equations, which are applied to study the influence of device geometries on the spin-injection ratio.
Appears in Collections:Ph.D Theses (Open)

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