STRUCTURAL ANALYSIS OF LIQUID 3D TRANSITION METALS USING CHARGED HARD SPHERE REFERENCE SYSTEM
Vietnam Journals Online
View Archive Info| Field | Value | |
| Title |
STRUCTURAL ANALYSIS OF LIQUID 3D TRANSITION METALS USING CHARGED HARD SPHERE REFERENCE SYSTEM
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| Creator |
P. B. THAKOR
P. N. GAJJAR A. R. JANI |
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| Subject |
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| Description |
The Charged Hard Sphere (CHS) reference system is applied to study the structural
analysis of liquid 3d transition metals. Here we report the structure factor S(q), pair
distribution function g (r), interatomic distance r1 of nearest neighbour atoms and coordination
number n$_1$ for liquid 3d transition metals viz: Ti, V, Cr, Mn, Fe, Co, Ni and Cu.
To describe electron–ion interaction our own model potential is employed alongwith the local
field correction due to Sarkar et al (SS). The present results of S(q) and g (r) are in
good agreement with experimental findings. The maximum discrepancy obtained from the
experimental data for the coordination number is 4.22% in the case of Ti while the lowest
is 0.31% for Cu. Thus CHS is capable of explaining the structural information of a nearly
empty d-shell, nearly filled d-shell and fully filled d-shell elements.
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| Publisher |
Vietnamese Academy of Science and Technology
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| Contributor |
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| Date |
2007-04-16
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| Type |
Peer-reviewed Article
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| Format |
application/pdf
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| Identifier |
http://www.vjol.info/index.php/cip/article/view/352
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| Source |
Communications in Physics; Vol 14, No 1 (2004); 15--22
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| Language |
en
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| Coverage |
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