—The development of a new nanoelectronics modeling tool, NEMO5, is reported. The tool computes strain, phonon spectra , electronic band structure, charge density, charge current, and other properties of nanoelectronic devices. The modular layout enables a mix and match of physical models with different length scales and varying numerical complexity. NEMO5… (More)
—Nonequilibrium Green's Functions (NEGF) are employed to model carrier transport and luminescence in a single-quantum-well light-emitting diode (LED). The sound theoretical formalism allows for a consistent description of coherence loss as well as fundamental scattering mechanisms and reveals details about physical phenomena such as the quantum-confined… (More)
An enhanced valence force field model for zinc-blende crystals is developed to provide a unified description of the isothermal static and dynamical lattice properties of gallium arsenide. The expression for the lattice energy includes a second-nearest-neighbor coplanar interaction term, the Coulomb interaction between partially charged ions, and… (More)
Introduction Modeling and simulation take an important role in the exploration and design optimization of novel devices. As the downscaling of electronic devices continues, the description of interfaces, randomness, and disorder on an atomistic level gains importance and continuum descriptions lose their validity. Often a full-band description of the… (More)
2010 Acknowledgment I wish to thank Prof. Wolfgang Fichtner for the opportunity to work in a well-equipped and comfortable environment at the Integrated Systems Laboratory during several years. For many helpful discussions and advices as well as for carefully reading my scientific contributions, including this thesis, a special thank goes to Prof. Andreas… (More)
redistribution of point defects in silicon device structures, " Proc. of the 9th Internat. The effect of intrinsic point defects upon dislocation motion in silicon, " Proc. of the 9th Internat. Full-band simulation of indirect phonon assisted tunneling in a silicon tunnel diode with delta-doped contacts, " Appl.
—In the last few years, evolutionary computing (EC) approaches have been successfully used for many real world optimization applications in scientific and engineering areas. One of these areas is computational nanoscience. Semi-empirical models with physics-based symmetries and properties can be developed by using EC to reproduce theoretically the… (More)