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Structural study of some d shell liquid metals

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Title Structural study of some d shell liquid metals
 
Creator Thakor, P B
Gajjar, P N
Jani, A R
 
Subject Pseudopotential
Structure factor
Pair distribution function
Interatomic distance
 
Description 509-513
The Charged Hard Sphere (CHS) reference system is applied to study the structure of some d shell liquid metals viz; Sc, Zr, Pd, La and Pt. The structure factor S(q), pair distribution function g(r), inter atomic distance r1 and coordination number n1 are calculated using a well established pseudopotential. The latest local field correction function (S) due to Sarkar et al. (Ref. 18) is applied to introduce the exchange and correlation effects. It is found that the present results are in good agreement with experimental data. Thus the CHS reference system alongwith the present model potential is found capable of explaining the structural information of some d shell liquid metals.
 
Date 2008-12-05T05:59:07Z
2008-12-05T05:59:07Z
2007-06
 
Type Article
 
Identifier IJPAP Vol.45(6) [June 2007]
http://hdl.handle.net/123456789/2511
 
Language en_US
 
Relation C30B
 
Publisher CSIR
 
Source IJPAP Vol.45(6) [June 2007]