Erasmus Langer
Siegfried Selberherr
Oskar Baumgartner
Hajdin Ceric
Johann Cervenka
Otmar Ertl
Wolfgang Gös
Klaus-Tibor Grasser
Philipp Hehenberger
René Heinzl
Gerhard Karlowatz
Markus Karner
Hans Kosina
Gregor Meller
Goran Milovanovic
Mihail Nedjalkov
Roberto Orio
Vassil Palankovski
Mahdi Pourfath
Franz Schanovsky
Philipp Schwaha
Franz Stimpfl
Viktor Sverdlov
Oliver Triebl
Stanislav Tyaginov
Martin-Thomas Vasicek
Stanislav Vitanov
Paul-Jürgen Wagner
Thomas Windbacher

Gregor Meller
Mag.rer.nat.
meller(!at)iue.tuwien.ac.at
Biography:
Gregor Meller was born in Styria, Austria, in 1972. He studied theoretical physics at the University of Vienna. In May 1999 he received the MSc degree. He joined the Institute for Microelectronics in October 2004, where he is currently working on his doctoral degree. His field of work is Monte Carlo methods for organic devices.

Kinetic Monte Carlo Organic Device Simulation

A computer program for the three-dimensional microscopic simulation of transient phenomena in amorphous organic devices has been developed. The device physics of polymer-based opto-electronic applications is characterized by the injection, propagation, extraction and accumulation of charges in layered assemblies of about 100 nm thin polymer films at field strengths of about 1 MV/cm. Electrons in amorphous plastic devices behave noticeably differently than conduction electrons within a periodically ordered crystal. Whereas the latter delocalize across the translation invariant bulk, electrons in semiconducting plastics equal point charges on an erratic journey through the polymer. The resulting electric currents are often randomly distributed in space and frequently give rise to mobility models based on the percolation theory. The software presented is based on the Kinetic Monte Carlo technique and thus simulates the system's time evolution as a continuous time random walk. The simulator drives both the time-evolution of the p- and the n-conductive band simultaneously. Whether the device is n- or p-conductive does not depend on an intrinsic material property, but on the constellation of work functions. All space charge and image-force effects have been regarded with full rigor. Electrical doping can be simulated on an arbitrary spatial doping level using arbitrary spatial dopant distributions. Disorder is modeled by Baessler's well-established Gaussian Disorder Model. The transition of electrons is governed by the classical Miller-Abrahams expression, which turned out to be adequate for bulk and hetero-junction simulations, as countless Monte Carlo simulations by Baessler and many other researchers in this area prove. However, many organic devices exhibit contact-dominated behavior. In this case, the bulk's molecular structure is less critical to a device's electrical characteristics than the chemical and morphologic structure of the bulk-electrode interfaces. Since the Miller-Abrahams rate is inadequate for the simulation of charge injection and extraction in real space, it has currently been replaced by an advanced mechanism.


The seemingly thermionic characteristics of the simulator are very robust against variations in the wave function decay in the bulk and the interface.


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