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020 $a9781466504707$q(electronic bk.)
020 $a1466504706$q(electronic bk.)
020 $z9781466504684
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037 $aTANDF_261318$bIngram Content Group
050 4 $aQC176.8.E4$bP74 2014
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049 $aZCUA
100 1 $aPrasad, Rajendra.
245 10 $aElectronic structure of materials /$cRajendra Prasad.
264 1 $aBoca Raton :$bCRC Press,$c[2014]
300 $a1 online resource (xxi, 447 pages .).
336 $atext$btxt$2rdacontent
337 $acomputer$bc$2rdamedia
338 $aonline resource$bcr$2rdacarrier
490 1 $aA Chapman & Hall book
520 $a"This book is a compilation of lecture notes from a course on the electronic structure of materials targeted at students in physics and materials science. The book covers the fundamentals of electronic structure, methods to calculate the electronic structure of solids, calculation of some properties, and some applications. It presents the fundamentals of electronic structure and its important applications to a wide variety of materials with emphasis on materials of current interest. This book shows how materials can be understood based on the basic principles of physics. Some basic knowledge of quantum mechanics, statistical mechanics, and condensed matter physics is recommended"--$cProvided by publisher.
504 $aIncludes bibliographical references and index.
588 0 $aPrint version record.
505 0 $aIntroduction Quantum Description of Materials ; Born–Oppenheimer Approximation; Hartree Method; Hartree–Fock (H–F) Method; Configuration Interaction (CI) Method; Application of Hartree Method to Homogeneous Electron Gas (HEG); Application of H–F Method to HEG; Beyond the H–F Theory for HEG Density Functional Theory; Thomas–Fermi Theory; Screening: An Application of Thomas–Fermi Theory; Hohenberg–Kohn Theorems; Derivation of Kohn–Sham (KS) Equations; Local Density Approximation (LDA); Comparison of the DFT with the Hartree and H–F Theories; Comments on the KS Eigenvalues and KS Orbitals; Extensions to Magnetic Systems; Performance of the LDA/LSDA; Beyond LDA; Time-Dependent Density Functional Theory (TDDFT) Energy Band Theory ; Crystal Potential; Bloch’s Theorem; Brillouin Zone (BZ); Spin–Orbit Interaction; Symmetry; Inversion
505 0 $aSymmetry, Time Reversal, and Kramers’ Theorem; Band Structure and Fermi Surface; Density of States, Local Density of States,
505 0 $aAnd Projected Density of States; Charge Density; Brillouin Zone Integration Methods of Electronic Structure Calculations I ; Empty Lattice Approximation; Nearly Free Electron (NFE) Model; Plane Wave Expansion Method; Tight-Binding Method; Hubbard Model; Wannier Functions; Orthogonalized Plane Wave (OPW) Method; Pseudopotential Method Methods of Electronic Structure Calculations II ; Scattering Approach to Pseudopotential; Construction of First-Principles Atomic Pseudopotentials; Secular Equation; Calculation of the Total Energy; Ultrasoft Pseudopotential and Projector-Augmented Wave Method; Energy Cutoff and k -Point Convergence; Nonperiodic Systems and Supercells Methods of Electronic Structure Calculations III ; Green’s Function; Perturbation Theory Using Green’s Function; Free Electron Green’s Function in Three Dimensions; Korringa−Kohn−Rostoker (KKR)
505 0 $aMethod; Linear Muffin-Tin Orbital (LMTO) Method; Augmented Plane Wave (APW) Method; Linear Augmented Plane Wave (LAPW) Method; Linear Scaling Methods Disordered Alloys ; Short- and Long-Range Order; An Impurity in an Ordered Solid; Disordered Alloy: General Theory; Application to the Single Band Tight-Binding Model of Disordered Alloy; Muffin-Tin Model: KKR-CPA; Application of the KKR-CPA: Some Examples; Beyond CPA First-Principles Molecular Dynamics ; Classical MD; Calculation of Physical Properties; First-Principles MD: Born–Oppenheimer Molecular Dynamics (BOMD); First-Principles MD: Car–Parrinello Molecular Dynamics (CPMD); Comparison of the BOMD and CPMD; Method of Steepest Descent (SD); Simulated Annealing; Hellmann–Feynman Theorem; Calculation of Forces; Applications of the First-Principles MD Materials Design Using Electronic Structure Tools ; Structure–Property
505 0 $aRelationship; First-Principles Approaches and Their Limitations; Problem of Length and Time Scales: Multi-Scale Approach; Applications of the First-Principles Methods to Materials Design; Amorphous Materials ; Pair Correlation and Radial Distribution Functions; Structural Modeling; Anderson Localization; Structural Modeling of Amorphous Silicon and Hydrogenated Amorphous Silicon Atomic Clusters and Nanowires ; Jellium Model of Atomic Clusters; First-Principles Calculations of Atomic Clusters; Nanowires Surfaces, Interfaces,
505 0 $aAnd Superlattices ; Geometry of Surfaces; Surface Electronic Structure; Surface Relaxation and Reconstruction; Interfaces; Superlattices Graphene and Nanotubes ; Graphene; Carbon Nanotubes Quantum Hall Effects and Topological Insulators ; Classical Hall Effect; Landau Levels; Integer and Fractional Quantum Hall Effects (IQHE and FQHE); Quantum Spin Hall Effect (QSHE); Topological Insulators Ferroelectric and Multiferroic Materials ; Polarization; Born Effective Charge; Ferroelectric Materials; Multiferroic Materials High-Temperature Superconductors ; Cuprates; Iron-Based Superconductors Spintronic Materials ; Magnetic Multilayers; Half-Metallic Ferromagnets (HMF); Dilute Magnetic Semiconductors (DMS) Battery Materials ; LiMnO2 ; LiMn2 O4 Materials in Extreme
546 $aEnglish.
650 0 $aElectronic structure.
650 0 $aMaterials$xElectric properties.
650 0 $aElectronic apparatus and appliances$xMaterials.
650 6 $aStructure électronique.
650 6 $aMatériaux$xPropriétés électriques.
650 7 $aelectrical properties.$2aat
650 7 $aSCIENCE$xChemistry$xGeneral.$2bisacsh
650 7 $aSCIENCE$xSolid State Physics.$2bisacsh
650 7 $aTECHNOLOGY & ENGINEERING$xMaterial Science.$2bisacsh
650 7 $aSCIENCE / Energy$2bisacsh
650 7 $aSCIENCE / Mechanics / General$2bisacsh
650 7 $aSCIENCE / Physics / General$2bisacsh
650 7 $aElectronic apparatus and appliances$xMaterials.$2fast$0(OCoLC)fst00906813
650 7 $aElectronic structure.$2fast$0(OCoLC)fst00907474
650 7 $aMaterials$xElectric properties.$2fast$0(OCoLC)fst01011828
650 7 $aElektronenstruktur$2gnd
650 7 $aFestkörper$2gnd
650 7 $aElektronenstruktur.$2gnd$0(DE-601)104370009
650 7 $aWerkstoff.$2gnd$0(DE-601)106118315
650 7 $aMaterial.$2sao
655 0 $aElectronic books.
655 4 $aLehrbuch.
655 4 $aElectronic books.
776 08 $iPrint version:$aPrasad, Rajendra.$tElectronic structure of materials.$dBoca Raton : CRC Press, [2014]$z9781466504684$z1466504684$w(DLC) 2013014259$w(OCoLC)754730208
830 0 $aChapman & Hall book.
856 40 $uhttp://www.columbia.edu/cgi-bin/cul/resolve?clio15113145$zTaylor & Francis eBooks
880 0 $6505-00$aEnvironments ; Materials at High Pressures; Materials at High Temperatures Appendix A: Electronic Structure Codes ; Appendix B: List of Projects ; Appendix C: Atomic Units ; Appendix D: Functional, Functional Derivative, and Functional Minimization ; Appendix E: Orthonormalization of Orbitals in the Car–Parrinello Method ; Appendix F: Sigma ( σ) and Pi ( π) Bonds ; Appendix G: sp, sp2, and sp3 Hybrids References Index Exercises and Further Reading appear at the end of each chapter.
852 8 $blweb$hEBOOKS