Published November 15, 2009 | Version v1
Journal article

Effect of correlation on energy of solids

  • 1. Department of Physics, Agra College, Dr. B.R. Ambedkar University, Agra (India)
  • 2. Department of Physics, Eritrea Institute of Technology, Asmara University, Asmara (Eritrea)
  • 3. Department of Applied Sciences, Faculty of Engineering and Technology, R.B.S. College, Bichpuri, Agra, (U.P. Technical University, Lucknow) (India)

Description

In the present paper we make an attempt to model the lattice energy with the lattice constants through the first-principles calculations. This formalism is designed particularly for application with the self-consistent pseudopotential (PP) method within the density functional (DF) framework and includes exchange and correlation effects. Applying the above formalism we have calculated the lattice energy and correlation energy for a number of solids belonging to groups I-VII and II-VI of the periodic table. The convergence of our results is in the favour of used PP. These results will be helpful in determining various structural and elastic properties of these solids and in the generation of equation of state.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.physb.2009.07.114

Additional details

Identifiers

DOI
10.1016/j.physb.2009.07.114;
PII
S0921-4526(09)00634-6;

Publishing Information

Journal Title
Physica. B, Condensed Matter
Journal Volume
404
Journal Issue
21
Journal Page Range
p. 3877-3879
ISSN
0921-4526
CODEN
PHYBE3

Optional Information

Copyright
Copyright (c) 2009 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.