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A Tight-Binding Model Beyond Two-Center Approximation

Published online by Cambridge University Press:  10 February 2011

C. Z. Wang ,
M. S. Tang ,
Bicai Pan ,
C. T. Chan  and
K. M. Ho
C. Z. Wang
Affiliation:
Ames Laboratory-USDOE, and Department of Physics, Iowa State University, Ames, IA 50011
M. S. Tang
Affiliation:
Ames Laboratory-USDOE, and Department of Physics, Iowa State University, Ames, IA 50011
Bicai Pan
Affiliation:
Ames Laboratory-USDOE, and Department of Physics, Iowa State University, Ames, IA 50011
C. T. Chan
Affiliation:
Ames Laboratory-USDOE, and Department of Physics, Iowa State University, Ames, IA 50011
K. M. Ho
Affiliation:
Ames Laboratory-USDOE, and Department of Physics, Iowa State University, Ames, IA 50011
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Abstract

We present a tight-binding model which goes beyond the traditional two-center approximation and allows the hopping parameters and the repulsive energy to be dependent on the bonding environment. We show that this model works well for metallic as well as covalent systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 408: Symposium P – Materials Theory, Simulations, and Parallel Algorithms , 1995 , 37
Copyright
Copyright © Materials Research Society 1996

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References

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