Loss of Symmetry in Crystals: Surfaces and Local Defects

  • Cesare Pisani
Part of the Lecture Notes in Chemistry book series (LNC, volume 67)


The use of periodic techniques for the study of crystalline surfaces (slab model) and of local defects in crystals (supercell model) is discussed. Special attention is given to projected band structures and to the possible appearance of surface or defect states. The (111) surface of silicon and substitutional impurities in silicon are used as examples.

Key words

Supercell Crystalline Surface Slab Surface State Surface Formation Energy Projected Band-structure Regular Adsorption Defect Defect Formation Energy Defect State Green Function 


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Copyright information

© Springer-Verlag Berlin Heidelberg 1996

Authors and Affiliations

  • Cesare Pisani
    • 1
  1. 1.Department of Inorganic, Physical and Materials ChemistryUniversity of TorinoTorinoItaly

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