A platform for research: civil engineering, architecture and urbanism
A platform for research: civil engineering, architecture and urbanism
Structure and Energetics of Clean Surfaces
Abstract In the preceding chapter electronic structure methods were introduced which allow the evaluation of the total energy of a particular system. At zero temperature, the stable structure of a specific system is given by the structure with the minimal total energy. Therefore total-energy calculations are so important for the structural determination of surfaces. As far as finite temperature effects are concerned, the minimum of the free energy is the appropriate quantity. In the following sections, the electronic and geometric structure and the energetics of clean surfaces and their determination by first-principles calculations will be addressed. In addition, the underlying principles that lead to a particular structure will be thoroughly discussed. Since the surface vibrational modes are strongly related to the structure of the surface, surface phonons will also be addressed in this chapter.
Structure and Energetics of Clean Surfaces
Abstract In the preceding chapter electronic structure methods were introduced which allow the evaluation of the total energy of a particular system. At zero temperature, the stable structure of a specific system is given by the structure with the minimal total energy. Therefore total-energy calculations are so important for the structural determination of surfaces. As far as finite temperature effects are concerned, the minimum of the free energy is the appropriate quantity. In the following sections, the electronic and geometric structure and the energetics of clean surfaces and their determination by first-principles calculations will be addressed. In addition, the underlying principles that lead to a particular structure will be thoroughly discussed. Since the surface vibrational modes are strongly related to the structure of the surface, surface phonons will also be addressed in this chapter.
Structure and Energetics of Clean Surfaces
Professor Dr. Groß, Axel (author)
2003-01-01
38 pages
Article/Chapter (Book)
Electronic Resource
English
Scanning Tunneling Microscope , Rayleigh Wave , Clean Surface , Scanning Tunneling Microscope Image , Dangling Bond Physics , Condensed Matter Physics , Atomic, Molecular, Optical and Plasma Physics , Surfaces and Interfaces, Thin Films , Solid State Physics , Spectroscopy and Microscopy , Engineering, general
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