Theoretical Aspects of Band Structures and Electronic Properties of Pseudo-One-Dimensional Solids (Physics and Chemistry of Materials, Series B: Quasi-one dimensional materials) - gebonden uitgave, pocketboek

EAN (ISBN-13): 9789027719270
ISBN (ISBN-10): 9027719276
Gebonden uitgave
pocket book
Verschijningsjaar: 1985
Uitgever: Kluwer Academic Publishers
296 Bladzijden
Gewicht: 0,613 kg
Taal: eng/Englisch

Boek bevindt zich in het datenbestand sinds 2007-08-02T10:55:11+02:00 (Amsterdam)
Detailpagina laatst gewijzigd op 2022-07-31T19:52:53+02:00 (Amsterdam)
ISBN/EAN: 9027719276

ISBN - alternatieve schrijfwijzen:
90-277-1927-6, 978-90-277-1927-0

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Gegevens van de uitgever

Auteur: Hitomi Kimura
Titel: Physics and Chemistry of Materials with B; Theoretical Aspects of Band Structures and Electronic Properties of Pseudo-One-Dimensional Solids - Quasi One-Dimensional Structures
Uitgeverij: Springer; Springer Netherland
284 Bladzijden
Verschijningsjaar: 1985-10-31
Dordrecht; NL
Gewicht: 1,320 kg
Taal: Engels
235,39 € (DE)
241,99 € (AT)
259,50 CHF (CH)
POD
XI, 284 p.

BB; Book; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; bonding; crystal structure; metals; phase diagram; structure; B; Physical Chemistry; Physical Chemistry; Chemistry and Materials Science; BC; EA

Theoretical Aspects of Conducting Polymers: Electronic Structure and Defect States.- 1. Introduction.- 2. Ground State Configuration (Hückel Theory).- 2.1. Model and Basic Assumptions.- 2.2. Bond Order.- 2.3. Equilibrium Configuration and Bond—Bond Polarizability.- 2.4. Parametrization.- 2.5. Peierls Instability and Bond Alternation in Polyacetylene.- 2.6. Phonons.- 3. The Continuum Limit.- 3.1. Definition of the Fields and Appropriate Boundary Conditions.- 3.2. Bogoliubov—de Gennes Equations and Self-Consistency Condition.- 3.3. Ground State and Small Amplitude Fluctuations.- 4. Intrinsic Defects.- 4.1. The Kink Solution.- 4.2. Polarons, Bipolarons, and Excitons.- 4.3. Solitons?.- 5. Towards a More Realistic Theory of Conducting Polymers.- 5.1. Electron—Electron Interaction.- 5.2. Disorder.- 5.3. Interchain Coupling.- 6. Concluding Remarks.- Appendix A: Local Bond Order and Local Density in the Peierls Distorted State.- Appendix B: Polaron—Type Solutions.- Appendix C: Acoustic Phonons.- References.- Equilibrium Properties of TTF-TCNQ.- 1. Introduction.- 2. Interaction Scheme.- 2.1. Electron Bands.- 2.2. Coulomb Interactions.- 2.3. Phonons and Electron7—Phonon Interactions.- 2.4. Instabilities.- 3. Coulomb Correlated Electron Gas.- 3.1. Cohesion of TTF-TCNQ.- 3.2. Parquet Approximation — Coupling Constants.- 3.3. Parquet Sums.- 3.4. Exact Theory.- 3.5. Coulomb Interchain Coupling.- 3.6. 4kF Correlations.- 4. CDW Coupling to the Lattice.- 4.1. Harmonic Theory.- 4.2. Quartic Interaction of Phonons.- 4.3. Microscopic Picture — Summary.- 5. Three-Dimensional Ordering.- 5.1. Phase Transitions at 54, 49, and 38 K.- 5.1(a) 2kF Ordering.- 5.1(b) Landau Model for the Sliding Regime (T > 38 K).- 5.1(c) The Commensurate Lock-in at a*/4.- 5.2. Hysteresis in the Temperature Range 38 K < T < 49 K.- 5.3. 4kF Ordering.- 5.4. (p, T) Phase Diagram.- 5.4(a) Experimental Situation.- 5.4(b) Symmetry Analysis.- 5.4(c) The Commensurate Lock-in of 2kF at b*/3.- 5.4(d) The Pressure Dependence of TF and Tx.- 5.5. Conclusion.- References.- Band Structures and Electronic Properties of Metallic Polymer (SN)x and Its Intercalates (SNBry)x.- 1. Introduction.- 1.1. Brief Survey of Band Structure Calculations up to Self-Consistent Calculation.- 1.2. Crystal Structure of (SN)x.- 2. Self-Consistent Numerical Basis Set LCAO Method.- 2.1. Local Density Functional Formalism.- 2.2. Effects of Charge Transfer.- 3. Band Structure and Fermi Surface of (SN)x.- 4. Optical Absorption Spectra of (SN)x.- 5. Fermi Surfaces and Optical Absorption Spectra of (SNBry)x.- 6. Electrical Resistivity in an Interacting Two-Carrier System.- 7. Electrical Resistivity of (SN)x and (SNBry)x.- 7.1. Model.- 7.2. Temperature Dependence and Magnitude of Resistivity.- 7.2.1. Electron—Hole Scattering.- 7.2.2. Carrier—Phonon Scattering.- 7.2.3. Resistivity of (SN)x and (SNBry)x.- 8. Summary.- References.- The Quasi-One-Dimensional Chalcogenides and Halides of Transition Elements.- 1. Introduction.- 1.1. One-Dimensional Compounds and Metal—Metal Bonding.- 1.2. Electron Band Structure Methods.- 2. Metal—Metal Pairing in NbI4.- 2.1. The NBI4 Crystal Structure.- 2.2. Metal—Metal Bonding and the Electronic Structure of NbI4.- 3. Transition Metal Trichalcogenides.- 3.1. Trichalcogenides of Group IV.- 3.1.1. MX3 Structure for Group IV Transition Metals.- 3.1.2. Optical Properties.- 3.1.3. Electronic Structure Calculations.- 3.1.4. Transport Properties.- 3.1.5. Raman and Infrared Spectra of the Group IV Trichalcogenides.- 3.1.6. Intercalation Properties.- 3.2. Trichalcogenides of Group V.- 3.2.1. NbS3.- 3.2.2. TaSe3.- 3.2.3. NbSe3.- 3.2.4. TaS3.- 3.2.5. FeNb3Sel0.- 4. Zirconium and Hafnium Pentatellurides.- 5. Other One-Dimensional Compounds.- 5.1 NbTe4 and TaTe4.- 5.2 Nb3X4.- 5.3 Other Nb Chalcogenides, Halides, and Chalcogenide Halides.- 5.4 K0.30MoO3.- 5.5 TlMo3Se3.- References.- Electronic Structure of NbSe3.- 1. Low-Dimensional Material NbSe3.- 1.1. Introduction.- 1.2. General Characters of MX3 Compounds.- 1.2.1. Structures and Electronic Properties of MX3 Compounds.- 1.2.2. Relation between Crystal Structures and Electronic Properties of MX3.- 1.2.3. Electronic Structure and CDW Transition.- 1.2.4. Important Factors Determining the Electronic Properties of MX3 Compounds.- 1.3. Electronic Properties of NbSe3.- 1.3.1. Structure of NbSe3.- 1.3.2. Experimental Results of NbSe3.- 1.3.3. CDW Transitions and Band Calculation.- 2. Methodology of a Band Calculation.- 2.1. Formalism of a Calculation.- 2.2. Hamiltonian of a System.- 2.3. Basis Functions and Matrix Element.- 2.4. Charge Distribution.- 2.5. Density of States and Brillouin Zone Integral.- 2.6. Summary.- 3. Results of the Band Calculation.- 3.1. Charge Distribution in a Unit Cell.- 3.2. Energy Dispersion.- 3.3. Density of States.- 3.4. Fermi Surfaces.- 4. Discussion.- 4.1. Fermi Surfaces and CDW Transitions.- 4.2. CDW Transitions and Transport Properties.- 4.2.1. Hall Constant.- 4.2.2. Resistivity.- 4.3. Concluding Remarks.- References.- Index of Names.- Index of Subjects.