Electronic Structure and PropertiesFrank Y. Fradin |
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Results 1-3 of 63
Page 73
... density model with the atomic configurations treated as adjustable parameters and a sampling of 15 equally spaced points in the irreducible Brillouin zone . The spin density is obtained self - consistently by minimizing the integrated ...
... density model with the atomic configurations treated as adjustable parameters and a sampling of 15 equally spaced points in the irreducible Brillouin zone . The spin density is obtained self - consistently by minimizing the integrated ...
Page 76
... spin density is larger along the ( 110 ) than along the ( 001 ) direction . In the interstitial region ( where the sp electrons dominate ) , the spin density , shown as dashed lines , is negative . This opposite polarization of the sp ...
... spin density is larger along the ( 110 ) than along the ( 001 ) direction . In the interstitial region ( where the sp electrons dominate ) , the spin density , shown as dashed lines , is negative . This opposite polarization of the sp ...
Page 381
... electron spin response to the proton accurately ( just as the charge distribu- tion described earlier ) and are no longer discussed . We shall present results based on the self - consistent density - functional approach , molecular ...
... electron spin response to the proton accurately ( just as the charge distribu- tion described earlier ) and are no longer discussed . We shall present results based on the self - consistent density - functional approach , molecular ...
Contents
Photoelectron Spectroscopy as an Electronic | 99 |
Electronic Structure and the ElectronPhonon Interaction | 165 |
1228 | 213 |
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 level 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