Calculation of parameter of Ashcroft’s potential using vacancy formation energy for bcc metals like Cr, Mo, W, V, Nb, Ta, Tl, Eu and Zr

Authors

  • Amitava Ghorai
  • Tirthankar Choudhury
  • Arjun Das
  • Rajesh Dey
  • Sourav Ganguly

DOI:

https://doi.org/10.62721/diffusion-fundamentals.17.663

Keywords:

point defect, vacancy, interstitial, bcc metal, pseudopotential

Abstract

Variation of vacancy formation energy with the parameter of Ashcroft\''s model for nine different exchange and correlation functions show almost similar nature for the bcc metals like Cr, Mo, W, V, Nb, Ta, Tl, Eu and Zr. The mean value of this parameter for these bcc metals are respectively 1.173, 1.383, 1.458, 1.263, 1.478, 1.489, 1.802, 2.222 atomic unit.

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Published

2012-12-22

How to Cite

Ghorai, A., Choudhury, T., Das, A., Dey, R., & Ganguly, S. (2012). Calculation of parameter of Ashcroft’s potential using vacancy formation energy for bcc metals like Cr, Mo, W, V, Nb, Ta, Tl, Eu and Zr. Diffusion Fundamentals, 17. https://doi.org/10.62721/diffusion-fundamentals.17.663

Issue

Vol. 17 (2012)

Section

Articles

URN

http://nbn-resolving.org/urn:nbn:de:bsz:15-qucosa-184513