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Methods Used for Calculating Band Structures of Layered Materials

Chapter
Part of the Physics and Chemistry of Materials with Layered Structures book series (PCMA, volume 3)

Abstract

In this chapter we shall review the main aspects of various methods which have been applied to calculate the band structures of layer compounds. Our objective is to have the discussions self-contained such that the amount of information provided here will be in sufficient detail to analyze results. The methods will be discussed in the chronological order of appearance of layer compound calculations in the literature. Moreover, this list of methods of band calculations is by no means complete; only common methods as they have been applied to layer compounds are described in detail.

Keywords

Layer Compound Core State Secular Equation Augmented Plane Wave Crystal Potential 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© D. Reidel Publishing Company, Dordrecht, Holland 1979

Authors and Affiliations

  1. 1.Dept. of PhysicsUniversity of CaliforniaDavisUSA

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