Electronic Structure and Properties: Treatise on Materials Science and Technology, Vol. 21, Volume 21Frank Y. Fradin Treatise on Materials Science and Technology, Volume 21: Electronic Structure and Properties covers the developments in electron theory and electron spectroscopies. The book discusses the electronic structure of perfect and defective solids; the photoelectron spectroscopy as an electronic structure probe; and the electron-phonon interaction. The text describes the elastic properties of transition metals; the electrical resistivity of metals; as well as the electronic structure of point defects in metals. Metallurgists, materials scientists, materials engineers, and students involved in the related fields will find the book useful. |
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Page 12
... orbitals), have been widely used in band theory. Both methods are capable of giving highly accurate solutions of the ... orbital) scheme of Andersen (1975), which is rapidly becoming the most popular scheme for treating complex materials ...
... orbitals), have been widely used in band theory. Both methods are capable of giving highly accurate solutions of the ... orbital) scheme of Andersen (1975), which is rapidly becoming the most popular scheme for treating complex materials ...
Page 13
... orbital (LMTO) method [Andersen, 1975] and the linearized augmented plane wave (LAPW) method (Andersen, 1975; Koelling and Arbman, 1975) are “linearized” versions of the KKR and APW schemes, respectively. Their major virtues are that ...
... orbital (LMTO) method [Andersen, 1975] and the linearized augmented plane wave (LAPW) method (Andersen, 1975; Koelling and Arbman, 1975) are “linearized” versions of the KKR and APW schemes, respectively. Their major virtues are that ...
Page 15
... orbitals, charge-transfer (ion pair) orbitals, and “free” Slater one-site functions. The initial crystal potential consists of a non-muffin-tin superposition potential, including nongradient free-electron correlation terms calculated ...
... orbitals, charge-transfer (ion pair) orbitals, and “free” Slater one-site functions. The initial crystal potential consists of a non-muffin-tin superposition potential, including nongradient free-electron correlation terms calculated ...
Page 16
... orbitals V(i) and W(j) are localized in the same region of space. This is the situation found for the heavy rare earths where the intraatomic Coulomb interaction dominates (Freeman, 1972) and selects an f" manifold within which crystal ...
... orbitals V(i) and W(j) are localized in the same region of space. This is the situation found for the heavy rare earths where the intraatomic Coulomb interaction dominates (Freeman, 1972) and selects an f" manifold within which crystal ...
Page 26
... orbitals per carbon) and all lattice sums were performed to convergence. The lattice constant was fixed at 6.740 a.u. Table I shows the calculated x-ray scattering factors in diamond at the three levels of local-density approximations ...
... orbitals per carbon) and all lattice sums were performed to convergence. The lattice constant was fixed at 6.740 a.u. Table I shows the calculated x-ray scattering factors in diamond at the three levels of local-density approximations ...
Contents
1 | |
Chapter 2 Photoelectron Spectroscopy as an Electronic Structure Probe | 99 |
Chapter 3 Electronic Structure and the ElectronPhonon Interaction | 165 |
Chapter 4 Elastic Properties of Transition Metals | 223 |
Chapter 5 Electrical Resistivity of Metals | 297 |
Chapter 6 Electronic Structure of Point Defects in Metals | 351 |
INDEX | 427 |
CONTENTS OF PREVIOUS VOLUMES | 441 |
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Common terms and phrases
alloys anomalies approximation atom band structure binding energy Brillouin zone bulk calculations charge density compounds conduction electrons contribution correlation Coulomb crystal curve d-band deformation potential e/at effect elastic constants electrical resistivity electron density electron gas electron-phonon interaction electronic structure energy band equation experiment experimental Fermi energy Fermi level Fermi surface ferromagnetic Freeman Friedel Friedel oscillations ground-state hybridization hydrogen impurity increase interstitial ions jellium jellium model Jena lattice Lett magnetic materials measured method moduli monovacancy muffin-tin muon obtained orbitals Papaconstantopoulos parameter peak phase phonon photoemission Phys point defects polarization positron properties proton pseudopotential rare-earth region sample scattering self-consistent shear shift shown in Fig shows Solid State Commun spectra Spectroscopy spin density strain Superconductivity temperature dependence theoretical theory tion transition metals transition-metal vacancy valence valence-band values variation velocity Wang wave functions York