Abstract
The graphs for variation of vacancy formation energy ( ) with rc of Ashcroft's empty core model potential for different exchange and correlation functions are shown for six bcc metals, viz. Li, Na, K, Rb, Cs and Ba. Fitted value of for Li, Na, K, Rb, Cs and Ba are respectively 1.343, 1.694, 2.205, 2.384, 2.962 and 2.337 atomic unit (AU).
Publisher
Trans Tech Publications, Ltd.
Subject
Condensed Matter Physics,General Materials Science,Radiation
Reference12 articles.
1. N. W. Ashcroft, Physics Letters, 23 (1966) 48.
2. A. Ghorai, Defect and Diffusion Forum, 278 (2008) 25.
3. A. Ghorai, Defect and Diffusion Forum, 293 (2009) 11.
4. A. Ghorai, Defect and Diffusion Forum, 294 (2009) 113.
5. A. Ghorai and Arjun Das, ISRN Metallurgy, Volume 2012, Article ID 431742, 4 pages.