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- ItemMathematical modeling of semiconductors: From quantum mechanics to devices(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2019) Kantner, Markus; Mielke, Alexander; Mittnenzweig, Markus; Rotundo, NellaWe discuss recent progress in the mathematical modeling of semiconductor devices. The central result of this paper is a combined quantum-classical model that self-consistently couples van Roosbroeck's drift-diffusion system for classical charge transport with a Lindblad-type quantum master equation. The coupling is shown to obey fundamental principles of non-equilibrium thermodynamics. The appealing thermodynamic properties are shown to arise from the underlying mathematical structure of a damped Hamitlonian system, which is an isothermal version of so-called GENERIC systems. The evolution is governed by a Hamiltonian part and a gradient part involving a Poisson operator and an Onsager operator as geoemtric structures, respectively. Both parts are driven by the conjugate forces given in terms of the derivatives of a suitable free energy.
- ItemGradient structure for optoelectronic models of semiconductors(Berlin : Weierstraß-Institut für Angewandte Analysis und Stochastik, 2016) Mielke, Alexander; Peschka, Dirk; Rotundo, Nella; Thomas, MaritaWe derive an optoelectronic model based on a gradient formulation for the relaxation of electron-, hole- and photon- densities to their equilibrium state. This leads to a coupled system of partial and ordinary differential equations, for which we discuss the isothermal and the non-isothermal scenario separately.