Electronic Structure of Refractory Carbides and Nitrides

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Cambridge University Press, Sep 8, 2005 - Science - 272 pages
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This book presents a systematic description of the electronic and physico-chemical properties of transition metal carbides and nitrides. The discussion is devoted to the theoretical modeling of refractory carbides and nitrides and alloys based on them, and the authors uniquely make use of computational methods to calculate their spectroscopic, electric, magnetic, superconducting, thermodynamical, and mechanical properties.
 

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Contents

1 Theoretical methods used to calculate the electronic structure and properties of refractory compounds
1
2 Electronic structure chemical bonding and properties of binary carbides
18
3 Electronic structure and interatomic interactions in transitionmetal nitrides
58
4 Electronic structure and properties of nonstoichiometric carbides and nitrides
92
5 s and pelement impurities in carbides nitrides and their solid solutions
132
6 Hydrogencontaining carbides and nitrides and their solid solutions
160
7 Influence of metal sublattice doping on electronic properties of carbides and nitrides
176
8 Electronic structure of the surfaces of carbides and nitrides
197
References
233
Index
254
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