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This book presents a unified view of the response of materials as a result of femtosecond laser excitation, introducing a general theory that captures both ultrashort-time non-thermal and long-time thermal phenomena. It includes a novel method for performing ultra-large-scale molecular dynamics simulations extending into experimental and technological spatial dimensions with ab-initio precision. For this, it introduces a new class of interatomic potentials, constructed from ab-initio data with the help of a self-learning algorithm, and verified by direct comparison with experiments in two different materials - the semiconductor silicon and the semimetal antimony.
In addition to a detailed description of the new concepts introduced, as well as giving a timely review of ultrafast phenomena, the book provides a rigorous introduction to the field of laser-matter interaction and ab-initio description of solids, delivering a complete and self-contained examination of the topic from thevery first principles. It explains, step by step from the basic physical principles, the underlying concepts in quantum mechanics, solid-state physics, thermodynamics, statistical mechanics, and electrodynamics, introducing all necessary mathematical theorems as well as their proofs. A collection of appendices provide the reader with an appropriate review of many fundamental mathematical concepts, as well as important analytical and numerical parameters used in the simulations.
List of contents
Introduction.- Ab-initio Description of Solids.- Ab-initio Description of a Fs-laser Excitation.- Ab-initio MD Simulations of the Excited Potential Energy Surface.- Empirical MD Simulations of Laser-excited Matter.
About the author
Bernd Bauerhenne conducts research in the Solid State and Ultrafast Physics Group at the Institute of Theoretical Physics of the University of Kassel. One focus of his research is the theory of ultrafast phenomena in solids and nanostructures; in particular, the description of ultrafast structural changes induced by an intense femtosecond laser. Among other things, he develops highly accurate interatomic potentials using self-learning algorithms, performs ultra-large-scale molecular dynamics simulations, and applies electronic temperature-dependent density functional theory.
He studied mathematics and physics at the University of Kassel and at the University of Luxemburg with a focus on numerics and dynamical systems in mathematics and theoretical modeling of solids in physics. He received a diploma in mathematics and a diploma in physics, completing his PhD in theoretical physics at the University of Kassel.
He was awarded the Otto Braun Fund doctoral fellowship and the University of Kassel final fellowship, won the PhD student award of the Symposion X at the European Materials Research Society meeting in Strasbourg 2017, and had the honor of attending the 66th Lindau Nobel Laureate Meeting.
