Includes bibliographical references (pages 233-253) and index.
3.5. Actinide nitrides -- 4. Electronic structure and properties of nonstoichiometric carbides and nitrides. 4.1. Electronic structure and chemical bonding in d-metal carbides containing C vacancies: cluster and band models. 4.2. Electronic structure and chemical bonding in d-metal nitrides with metalloid vacancies. 4.3. Metal vacancies in carbides and nitrides: cluster and band structure models. 4.4. The influence of nonstoichiometry on the properties of refractory phases -- 5. s- and p-element impurities in carbides, nitrides and their solid solutions. 5.1. Energy spectra of C, N, O impurities in Ti and Nb carbides and nitrides. 5.2. Electronic structure of Sc, Ti, V, Zr, Nb and Hf carbonitrides, oxycarbides and oxynitrides. 5.3. The energy structure of d-metal carbides and nitrides with B impurities. 5.4. Band and cluster calculations of TiC-Be and NbC-Be systems. 5.5. Energy states and chemical bonding in ternary carbides and nitrides formed in Ti-(Al, Ge)-(C, N) systems.
6. Hydrogen-containing carbides and nitrides and their solid solutions. 6.1. Hexagonal hydrocarbides and hydronitrides of V and Nb. 6.2. H in stoichiometric cubic Ti and V carbides and nitrides. 6.3. H in nonstoichiometric TiC[subscript x], TiN[subscript x] VN[subscript x] and ZrN[subscript x]. 6.4. H in ideal and nonstoichiometric Ti and V carbonitrides, oxycarbides and oxynitrides -- 7. Influence of metal sublattice doping on electronic properties of carbides and nitrides. 7.1. Isolated 3d- and 4d-metal impurities in carbides and nitrides. 7.2. Electronic structure of ternary carbide and nitride alloys. 7.3. Substitutional impurities and stability of cubic Sc and Mo carbides. 7.4. Models of electronic states in multicomponent systems based on TiC and TiN -- 8. Electronic structure of the surfaces of carbides and nitrides. 8.1. Surface states of carbides and nitrides as investigated by the electron and Auger spectroscopy methods.
8.2. Band and cluster calculations of ideal and defect surfaces of d-metal carbides and nitrides.
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Data available on chemical bonding and the properties of multi-component carbide- and nitride-based alloys, as well as their surface electronic structure are described, and compared with those of bulk crystals. This book will be of interest to solid state physicists, materials scientists and engineers in both university and industrial environments working on or with refractory carbides and nitrides.
This book presents a systematic description of the electronic and physico-chemical properties of transition-metal carbides and nitrides. These materials possess remarkable physical and chemical properties, including extremely high hardness and strength, and high melting points, metallic conductivity and superconductivity. As a result, they have been extensively studied by scientists, and their properties widely exploited by engineers.
This is the first book devoted to the theoretical modelling of refractory carbides and nitrides and alloys based on them. It makes use of computational methods to calculate their spectroscopic, electric, magnetic, superconducting, thermodynamical and mechanical properties. Calculated results on the electronic band structure of ideal binary transition-metal carbides and nitrides are presented, and the influences of crystal lattice defects, vacancies and impurities are studied in detail.
Elektronnoe stroenie tugoplavkikh karbidov i nitridov perekhodnykh metallov.