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Quasilinear parabolic systems with mixed boundary conditions
In this paper we investigate quasilinear systems of reaction-diffusion equations with mixed Dirichlet-Neumann bondary conditions on non smooth domains. Using techniques from maximal regularity and heat-kernel estimates we prove existence of a unique solution to systems of this type.
Analyticity for some operator functions from statistical quantum mechanics : dedicated to Günter Albinus
For rather general thermodynamic equilibrium distribution functions the density of a statistical ensemble of quantum mechanical particles depends analytically on the potential in the Schrödinger operator describing the quantum system. A key to the proof is that the resolvent to a power less than one of an elliptic operator with non-smooth coefficients, and mixed Dirichlet/Neumann boundary conditions on a bounded up to three-dimensional Lipschitz domain factorizes over the space of essentially bounded functions.
Monotonicity properties of the quantum mechanical particle density
An elementary proof of the anti-monotonicity of the quantum mechanical particle density with respect to the potential in the Hamiltonian is given for a large class of admissible thermodynamic equilibrium distribution functions. In particular the zero temperature case is included.
Coercivity for elliptic operators and positivity of solutions on Lipschitz domains
We show that usual second order operators in divergence form satisfy coercivity on Lipschitz domains if they are either complemented with homogeneous Dirichlet boundary conditions on a set of non-zero boundary measure or if a suitable Robin boundary condition is posed. Moreover, we prove the positivity of solutions in a general, abstract setting, provided that the right hand side is a positive functional. Finally, positive elements from $W^-1,2$ are identified as positive measures
Modeling and simulation of strained quantum wells in semiconductorlasers
A model allowing for efficiently obtaining band structure information on semiconductor Quantum Well structures will be demonstrated which is based on matrix-valued kp-Schrödinger operators. Effects such as confinement, band mixing, spin-orbit interaction and strain can be treated consistently. The impact of prominent Coulomb effects can be calculated by including the Hartree interaction via the Poisson equation and the bandgap renormalization via exchange-correlation potentials, resulting in generalized (matrix-valued) Schrödinger-Poisson systems. Band structure information enters via densities and the optical response function into comprehensive simulations of Multi Quantum Well lasers. These device simulations yield valuable information on device characteristics, including effects of carrier transport, waveguiding and heating and can be used for optimization.
A Kohn-Sham system at zero temperature
An one-dimensional Kohn-Sham system for spin particles is considered which effectively describes semiconductor nanostructures and which is investigated at zero temperature. We prove the existence of solutions and derive a priori estimates. For this purpose we find estimates for eigenvalues of the Schrödinger operator with effective Kohn-Sham potential and obtain $W^1,2$-bounds of the associated particle density operator. Afterwards, compactness and continuity results allow to apply Schauder's fixed point theorem. In case of vanishing exchange-correlation potential uniqueness is shown by monotonicity arguments. Finally, we investigate the behavior of the system if the temperature approaches zero.
Classical solutions of drift-diffusion equations for semiconductor devices: the 2D case
We regard drift-diffusion equations for semiconductor devices in Lebesgue spaces. To that end we reformulate the (generalized) van Roosbroeck system as an evolution equation for the potentials to the driving forces of the currents of electrons and holes. This evolution equation falls into a class of quasi-linear parabolic systems which allow unique, local in time solution in certain Lebesgue spaces. In particular, it turns out that the divergence of the electron and hole current is an integrable function. Hence, Gauss' theorem applies, and gives the foundation for space discretization of the equations by means of finite volume schemes. Moreover, the strong differentiability of the electron and hole density in time is constitutive for the implicit time discretization scheme. Finite volume discretization of space, and implicit time discretization are accepted custom in engineering and scientific computing. ---This investigation puts special emphasis on non-smooth spatial domains, mixed boundary conditions, and heterogeneous material compositions, as required in electronic device simulation.
Direct computation of elliptic singularities across anisotropic, multi-material edges
We characterise the singularities of elliptic div-grad operators at points or edges where several materials meet on a Dirichlet or Neumann part of the boundary of a two- or three-dimensional domain. Special emphasis is put on anisotropic coefficient matrices. The singularities can be computed as roots of a characteristic transcendental equation. We establish uniform bounds for the singular values for several classes of three- and fourmaterial edges. These bounds can be used to prove optimal regularity results for elliptic div-grad operators on three-dimensional, heterogeneous, polyhedral domains with mixed boundary conditions. We demonstrate this for the benchmark Lshape problem.
Hölder continuity for second order elliptic problems with nonsmooth data
The well known De Giorgi result on Hölder continuity for solutions of the Dirichlet problem is re-established for mixed boundary value problems, provided that the underlying domain is a Lipschitz domain and the border between the Dirichlet and the Neumann boundary part satisfies a very general geometric condition. Implications of this result for optimal control theory are presented.
Maximal parabolic regularity for divergence operators including mixed boundary conditions
We show that elliptic second order operators $A$ of divergence type fulfill maximal parabolic regularity on distribution spaces, even if the underlying domain is highly non-smooth and $A$ is complemented with mixed boundary conditions. Applications to quasilinear parabolic equations with non-smooth data are presented.