Electronic Structure and PropertiesFrank Y. Fradin |
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Page 77
... bonding is still lacking . This is due to the inherent difficulties of performing self - consistent calculations on a realistic ( but complex ) system such as an ordered oxygen c ( 2 × 2 ) overlayer on the surface , say ( 001 ) , of a ...
... bonding is still lacking . This is due to the inherent difficulties of performing self - consistent calculations on a realistic ( but complex ) system such as an ordered oxygen c ( 2 × 2 ) overlayer on the surface , say ( 001 ) , of a ...
Page 215
... bonding . This increase in d - d bonding occurs because each time a node is added to the d - radial wave function its maximum is effectively pushed outward toward the interstitial region thereby increasing the d - d intersite overlap ...
... bonding . This increase in d - d bonding occurs because each time a node is added to the d - radial wave function its maximum is effectively pushed outward toward the interstitial region thereby increasing the d - d intersite overlap ...
Page 372
... bonding level is shown in Fig . 9. This plot is very similar to the partial density of states obtained from APW calculations of PdH ( Gupta and Freeman , 1978 ) and thus testifies to the importance of local environment . These bonding ...
... bonding level is shown in Fig . 9. This plot is very similar to the partial density of states obtained from APW calculations of PdH ( Gupta and Freeman , 1978 ) and thus testifies to the importance of local environment . These bonding ...
Contents
Illustrative Examples | 25 |
Photoelectron Spectroscopy as an Electronic | 99 |
Electronic Structure and the ElectronPhonon Interaction | 165 |
Copyright | |
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Electronic Structure and Properties: Treatise on Materials ..., Volume 21 Frank Y. Fradin Limited preview - 2016 |
Common terms and phrases
alloys anomalies approximation atom band structure binding energy Brillouin zone calculated charge density Chem cluster component 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 experiment experimental Fermi energy Fermi surface ferromagnetic Freeman Friedel Friedel oscillations Gupta hydrogen impurity increase interstitial ions jellium jellium model Jena lattice Lett magnetic Manninen matrix elements measured method moduli monovacancy muffin-tin muon N/m² Nb-Mo Nieminen obtained Papaconstantopoulos parameter peak phase phonon photoemission Phys point defects positron properties proton pseudopotential radius sample scattering self-consistent shear shift shown in Fig shows Solid State Commun spectra spin density strain superconducting temperature dependence theoretical theory tion transition metals transition-metal vacancy valence values variation velocity void volume wave functions York