Electronic Structure of Refractory Carbides and Nitrides
Cambridge University Press, Sep 8, 2005 - Science - 272 pages
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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1 Theoretical methods used to calculate the electronic structure and properties of refractory compounds
2 Electronic structure chemical bonding and properties of binary carbides
3 Electronic structure and interatomic interactions in transitionmetal nitrides
4 Electronic structure and properties of nonstoichiometric carbides and nitrides
5 s and pelement impurities in carbides nitrides and their solid solutions
6 Hydrogencontaining carbides and nitrides and their solid solutions
Other editions - View all
actinide alloys APW method ARPES atoms band methods band structure bond populations bulk modulus Callenas carbides and nitrides carbonitrides chemical bonding cluster methods cohesive energy composition conﬁrmed covalent cubic d-metal decrease defects electron density electronic structure energy spectrum experimental data Fermi energy Fermi level Fermi surface ﬁlms ﬁrst formation Gubanov H atoms hybridised Ichara impurity increase inﬂuence interactions Ivanovsky Ivashchenko Johansson KKR—CPA Kurmaev lattice constant LDOS LDOSs Lindberg LMTO calculations LMTO method LMTO—GF localisation Marksteiner matrix Mbar metal atoms metalloid MO diagrams N(EF Neckel Nemoshkalenko nonmetal nonmetal atoms nonmetal vacancies nonstoichiometric Novikov obtained orbitals p—d-band Papaconstantopoulos parameters peaks phonon photoelectron Phys properties refractory carbides refractory compounds Samsonov Schwarz Shveikin solid solutions speciﬁc sphere structure calculations studied subbands ternary tetrahedral TiC and TiN Total DOSs transition metal valence band values Weinberger X-ray emission Zhukov Zhurakovsky