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Ab Initio Thermodynamics and Statistical Mechanics of Diffusion, Growth, and Self- Assembly of Quantum Dots
Abstract Recent developments in methodology enable us to extend the density-functional theory approach, that primarily focuses on the self-consistent electronic structure, to poly-atomic complexes with 10,000 and more atoms, atomic motion over time scales of seconds, and involved statistics. In this contribution we will sketch recent density-functional theory-based hybrid methods, which bridge the length and time scales from those of electron orbitals to meso- and macroscopic proportions, and present some results for crystal growth and the self-assembly of nano-scale structures.
Ab Initio Thermodynamics and Statistical Mechanics of Diffusion, Growth, and Self- Assembly of Quantum Dots
Abstract Recent developments in methodology enable us to extend the density-functional theory approach, that primarily focuses on the self-consistent electronic structure, to poly-atomic complexes with 10,000 and more atoms, atomic motion over time scales of seconds, and involved statistics. In this contribution we will sketch recent density-functional theory-based hybrid methods, which bridge the length and time scales from those of electron orbitals to meso- and macroscopic proportions, and present some results for crystal growth and the self-assembly of nano-scale structures.
Ab Initio Thermodynamics and Statistical Mechanics of Diffusion, Growth, and Self- Assembly of Quantum Dots
Scheffler, Matthias (author) / Kratzer, Peter (author)
2002-01-01
15 pages
Article/Chapter (Book)
Electronic Resource
English
Transition State Theory , Metalorganic Chemical Vapor Deposition , Kinetic Monte Carlo , Kinetic Monte Carlo Simulation , Island Density Physics , Physics, general , Electronics and Microelectronics, Instrumentation , Surfaces and Interfaces, Thin Films , Characterization and Evaluation of Materials , Physical Chemistry , Condensed Matter Physics
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