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Predicting Properties of Solids at Finite Temperatures

Published online by Cambridge University Press:  28 February 2011

J.D. Joannopoulos ,
K.M. Rabe  and
M. Needels
J.D. Joannopoulos
Affiliation:
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
K.M. Rabe
Affiliation:
A.T.T. Bell Laboratories, Murray Hill, New Jersey 07974
M. Needels
Affiliation:
Department of Physics, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139
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Abstract

A method for performing ab-initio investigations of the equilibrium properties of real material solids at finite temperature is discussed. Examples involving surface and bulk structural transitions are presented.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 141: Symposium T – Atomic Scale Calculations in Materials Science , 1988 , 123
Copyright
Copyright © Materials Research Society 1989

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