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Study of electronic structure and elastic properties of transition metal and actinide carbides

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Title Study of electronic structure and elastic properties of transition metal and actinide carbides
 
Creator DAS, T
DEB, S
MOOKERJEE, A
 
Subject high-pressure
carbides
transition metals
actinides
 
Description We study the systematics of the electronic structures of the carbides of the transition series Sc, Ti, V, Zr and Hf and the actinides U and Th using the tight-binding linear muffin-tin orbitals method (TB-LMTO). The densities of states, charge distribution and energy bands are studied in the lowest energy configuration. Changes in the bonding configurations and the equations of state are also compared as we go from 3d Ti to 5d-4f Hf. For the actinide carbides, the f-states have features rather different from the 3d-5d transition metal carbides. Similar studies are made on these carbides. (c) 2005
 
Publisher ELSEVIER SCIENCE BV
 
Date 2011-07-26T20:19:27Z
2011-12-26T12:55:49Z
2011-12-27T05:42:46Z
2011-07-26T20:19:27Z
2011-12-26T12:55:49Z
2011-12-27T05:42:46Z
2005
 
Type Article
 
Identifier PHYSICA B-CONDENSED MATTER, 367(1-4), 6-18
0921-4526
http://dx.doi.org/10.1016/j.physb.2005.05.041
http://dspace.library.iitb.ac.in/xmlui/handle/10054/7014
http://hdl.handle.net/10054/7014
 
Language en