Verfügbarkeit: Atomic and electronic structure of solids

Atomic and electronic structure of solids:

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Beteilige Person:	Kaxiras, Efthimios (VerfasserIn)
Format:	Buch
Sprache:	Englisch
Veröffentlicht:	Cambridge [u.a.] Cambridge Univ. Press 2007
Ausgabe:	1. publ., transferred to digital print.
Schlagwörter:	Atomic structure Solid-state physics Solids Festkörpertheorie
Links:	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018628820&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
Umfang:	XX, 676 S. Ill., graph. Darst.
ISBN:	9780521810104 9780521523394

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Datensatz im Suchindex

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adam_text	Contents Preface page xv Acknowledgments xix I Crystalline solids 1 1 Atomic structure of crystals 4 1.1 Building crystals from atoms 5 1.1.1 Atoms with no valence electrons 7 1.1.2 Atoms with 5 valence electrons 13 1.1.3 Atoms with s and ρ valence electrons 15 1.1.4 Atoms with s and d valence electrons 24 і . 1.5 Atoms with s, d and ƒ valence electrons 24 1.1.6 Solids with two types of atoms 25 1.1.7 Hydrogen: a special one-s-valence-electron atom 27 1.1.8 Solids with many types of atoms 29 1.2 Bonding in solids 32 Further reading 36 Problems 37 2 The single-particle approximation 42 2.1 The hami¡Ionian of the solid 42 2.2 The Hartree and Hartree-Fock approximations 44 2.2.1 The Hartree approximation 44 2.2.2 Exampie of a variationai calculation 46 2.2.3 The Hartree-Fock approximation 47 2.3 Hartree-Fock theory of free electrons 49 2.4 The hydrogen molecule 54 2.5 Density Functional Theory 58 vii viii Contents 2.6 Electrons as quasiparticles 65 2.6.1 Quasiparticles and collective excitations 68 2.6.2 Thomas-Fermi screening 69 2.7 The ionic potential 72 Further reading 78 Problems 78 3 Electrons in crystal potential 82 3.1 Periodicity - Bloch states 82 3.2 k-space - Brillouin zones 87 3.3 Dynamics of crystal electrons 94 3.4 Crystal electrons in an electric field 97 3.5 Crystal symmetries beyond periodicity 101 3.6 Groups and symmetry operators 104 3.7 Symmetries of the band structure 105 3.8 Symmetries of 3D crystals 111 3.9 Special k-points 117 Further reading 119 Problems 120 4 Band structure of crystals 121 4.1 The tight-binding approximation 121 4.1.1 Example: 1 D linear chain with s or ρ orbitais 125 4.1.2 Example: 2D square lattice with s and ρ orbitais 129 4.1.3 Generalizations of the TBA 136 4.2 General band-structure methods 140 4.3 Band structure of representative solids 145 4.3.1 A 2D solid: graphite - a semimetal 145 4.3.2 3D covalent solids: semiconductors and insulators 148 4.3.3 3D metallic solids 153 Further reading 157 Problems 157 5 Applications of band theory 160 5.1 Density of states 160 5.2 Tunneling at metal-semiconductor contact 165 5.3 Optical excitations 167 5.4 Conductivity and dielectric function 169 Contents ix 5.5 Excitons 177 5.6 Energetics and dynamics 185 5.6.1 The total energy 1 86 5.6.2 Forces and dynamics 194 Further reading 200 Problems 201 6 Lattice vibrations 203 6.1 Phonon modes 203 6.2 The force-constant model 207 6.2.1 Example: phonons in 2D periodic chain 209 6.2.2 Phonons in a 3D crystal 213 6.3 Phonons as harmonic oscillators 216 6.4 Application: the specific heat of crystals 218 6.4.1 The classical picture 218 6.4.2 The quantum mechanical picture 219 6.4.3 The Debye model 221 6.4.4 Thermal expansion coefficient 225 6.5 Application: phonon scattering 227 6.5.1 Phonon scattering processes 228 6.5.2 The Debye-Waller factor 232 6.5.3 The Mossbauer effect 234 Problems 237 7 Magnetic behavior of solids 238 7.1 Magnetic behavior of insulators 239 7.2 Magnetic behavior of metals 246 7.2.1 Magnetization in Hartree-Fock free-electron gas 247 7.2.2 Magnetization of band electrons 251 7.3 Heisenberg spin model 254 7.3.1 Ground state of the Heisenberg ferromagnet 255 7.3.2 Spin waves in the Heisenberg ferromagnet 258 7.3.3 Heisenberg antiferromagnetic spin model 262 7.4 Magnetic order in real materials 265 7.5 Crystal electrons in an external magnetic field 268 7.5.1 de Haas-van Alphen effect 270 7.5.2 Classical and quantum Hall effects 273 Further reading 279 Problems 279 c Contents 8 Superconductivity 282 8.1 Overview of superconducting behavior 282 8.2 Thermodynamics of the superconducting transition 289 8.3 BCS theory of superconductivity 293 8.3.1 Cooper pairing 293 8.3.2 BCS ground state 297 8.3.3 BCS theory at finite temperature 307 8.3.4 The McMillan formula for 7; 308 8.4 High-temperature superconductors 310 Further reading 312 Problems 312 II Defects, non-crystalline solids and finite structures 315 10 Defects I: point defects 317 9.1 Intrinsic point defects 317 9.1.1 Energetics and electronic levels 317 9.1.2 Defect-mediated diffusion 320 9.2 Extrinsic point defects 325 9.2.1 Impurity states in semiconductors 325 9.2.2 Effect of doping in semiconductors 331 9.2.3 The p -η junction 338 9.2.4 Metal-semiconductor junction 345 Further reading 347 Problems 348 Defects II: line defects 350 10.1 Nature of dislocations 350 10.2 Elastic properties and motion of dislocations 355 10.2.1 Stress and strain fields 356 10.2.2 Elastic energy 360 10.2.3 Peierls-Nabarro model 365 10.3 Brittle versus ductile behavior 370 10.3.1 Stress and strain under external load 371 10.3.2 Brittle fracture - Griffith criterion 374 10.3.3 Ductile response - Rice criterion 376 10.3.4 Dislocation-defect interactions 378 Further reading 381 Problems 382 Contents xi 11 Defects III: surfaces and interfaces 385 11.1 Experimental study of surfaces 386 11.2 Surface reconstruction 394 11.2.1 Dimerization: the SKOOl) surface 398 11.2.2 Relaxation: the GaAs( 110) surface 400 11.2.3 Adatoms and passivation: the Si( 111 ) surface 403 11.3 Growth phenomena 408 11.4 Interfaces 419 11.4.1 Grain boundaries 419 11.4.2 Hetero-interfaces 421 Further reading 427 Problems 428 12 Non-crystalline solids 430 12.1 Quasicrystals 430 12.2 Amorphous solids 436 12.2.1 Continuous random network 437 12.2.2 Radial distribution function 440 12.2.3 Electron localization due to disorder 443 12.3 Polymers 447 12.3.1 Structure of polymer chains and solids 448 12.3.2 The glass and rubber states 451 Further reading 456 Problems 457 13 Finite structures 459 13.1 Clusters 460 13.1.1 Metallic clusters 460 13.1.2 Carbon clusters 462 13. 1 .3 Carbon nanotubes 476 13.1.4 Other covalent and mixed clusters 481 13.2 Biological molecules and structures 483 13.2.1 The structure of DNA and RNA 484 13.2.2 The structure of proteins 498 13.2.3 Relationship between DNA, RNA and proteins 504 13.2.4 Protein structure and function 509 Further reading 510 Problems 510 xii Contents III Appendices 513 Appendix A Elements of classical electrodynamics 515 A.I Electrostatics and magnetostatics 515 A.2 Fields in polarizable matter 518 A.3 Electrodynamics 520 A.4 Electromagnetic radiation 524 Further reading 529 Appendix В Elements of quantum mechanics 530 B.I The Schrödinger equation 530 B.2 Bras, kets and operators 533 B.3 Solution of the TISE 539 B.3.1 Free particles 539 B.3.2 Harmonic oscillator potential 540 B.3.3 Coulomb potential 543 B.4 Spin angular momentum 549 B.5 Stationary perturbation theory 554 В .5.1 Non-degenerate perturbation theory 554 B.5. 2 Degenerate perturbation theory 556 B.6 Time-dependent perturbation theory 557 B.7 The electromagnetic field term 559 Further reading 560 Problems 560 Appendix С Elements of thermodynamics 564 C.I The laws of thermodynamics 564 C.2 Thermodynamic potentials 567 C.3 Application: phase transitions 570 Problems 578 Appendix D Elements of statistical mechanics 579 D. 1 Average occupation numbers 580 D. 1.1 Classical Maxwell-Boltzmann statistics 580 D. 1.2 Quantum Fermi-Dirac statistics 582 D. 1.3 Quantum Bose-Einstein statistics 583 D.2 Ensemble theory 584 D.2.1 Definition of ensembles 585 D.2.2 Derivation of thermodynamics 589 Contents xiii D.3 Applications of ensemble theory 591 D.3.1 Equipartition and the Virial 591 D.3.2 Idea! gases 592 D.3.3 Spins in an external magnetic field 603 Further reading 617 Problems 617 Appendix E Elements of elasticity theory 622 E. 1 The strain tensor 622 E.2 The stress tensor 624 E.3 Stress-strain relations 626 E.4 Strain energy density 627 E.5 Applications of elasticity theory 629 E.5.1 Isotropie elastic solid 629 E.5.2 Plane strain 632 E.5.3 Solid with cubic symmetry 634 Further reading 636 Problems 636 Appendix F The Madelung energy 638 F. 1 Potential of a gaussian function 639 F.2 The Ewald method 640 Problems 642 Appendix G Mathematical tools 644 G.I Differential operators 644 G.2 Power series expansions 646 G.3 Functional derivatives 648 G.4 Fourier and inverse Fourier transforms 649 G,5 The ¿-function and its Fourier transform 650 G.5.1 The á-function and the ö-funetion 650 G.5.2 Fourier transform of the ¿-function 654 G.5.3 The б -function sums for crystals 654 G.6 Normalized gaussians 655 Appendix H Nobel prize citations 657 Appendix I Units and symbols 659 References 660 Index 667
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author	Kaxiras, Efthimios
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indexdate	2024-12-20T13:59:46Z
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isbn	9780521810104 9780521523394
language	English
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physical	XX, 676 S. Ill., graph. Darst.
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spellingShingle	Kaxiras, Efthimios Atomic and electronic structure of solids Atomic structure Solid-state physics Solids Festkörpertheorie (DE-588)4154189-3 gnd
subject_GND	(DE-588)4154189-3
title	Atomic and electronic structure of solids
title_auth	Atomic and electronic structure of solids
title_exact_search	Atomic and electronic structure of solids
title_full	Atomic and electronic structure of solids Efthimios Kaxiras
title_fullStr	Atomic and electronic structure of solids Efthimios Kaxiras
title_full_unstemmed	Atomic and electronic structure of solids Efthimios Kaxiras
title_short	Atomic and electronic structure of solids
title_sort	atomic and electronic structure of solids
topic	Atomic structure Solid-state physics Solids Festkörpertheorie (DE-588)4154189-3 gnd
topic_facet	Atomic structure Solid-state physics Solids Festkörpertheorie
url	http://bvbr.bib-bvb.de:8991/F?func=service&doc_library=BVB01&local_base=BVB01&doc_number=018628820&sequence=000002&line_number=0001&func_code=DB_RECORDS&service_type=MEDIA
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