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IJPAP Vol.45(06) [June 2007] >

Title: Structural study of some d shell liquid metals
Authors: Thakor, P B
Gajjar, P N
Jani, A R
Keywords: Pseudopotential
Structure factor
Pair distribution function
Interatomic distance
Issue Date: Jun-2007
Publisher: CSIR
IPC CodeC30B
Abstract: 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.
Page(s): 509-513
ISSN: IJPAP Vol.45(6) [June 2007]
Source:IJPAP Vol.45(06) [June 2007]

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