Introduction to Basic Terms of Band Structures

Marc Meyer , Stephan Glaus and Gion Calzaferri
Department of Chemistry and Biochemistry, University of Bern, CH-3012 Bern, Switzerland
J. Chem. Educ., 2003, 80 (10), p 1221
DOI: 10.1021/ed080p1221
Publication Date (Web): October 1, 2003

Abstract

This document explains the concepts and applications of band structures, translational symmetry, crystal orbitals, Bloch functions, wave vectors, the Peierls distortion, density of states (DOS), crystal orbital overlap population (COOP), and Brillouin zones.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

Mathcad in the Chemistry Curriculum

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Computational Chemistry
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History

  • Received: August 03, 2009

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