Electronic Structure and PropertiesFrank Y. Fradin |
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Page 47
... self - consistency can have important consequences . Figure 19 shows the result of the non - self - consistent calculation for ferro- magnetic Gd ( Harmon and Freeman , 1974 ) . In the figure , the solid curves denote the spin - up ...
... self - consistency can have important consequences . Figure 19 shows the result of the non - self - consistent calculation for ferro- magnetic Gd ( Harmon and Freeman , 1974 ) . In the figure , the solid curves denote the spin - up ...
Page 77
... 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 transition metal , like Ni . One central question of the theory has been the ...
... 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 transition metal , like Ni . One central question of the theory has been the ...
Page 375
... self - consistent calculation differ in the second place of decimal . The difference of 0.28 and 0.08 eV in Ecorr for Al and Mg , respectively , between the values of Zaremba et al . ( 1977 ) ( who performed a fully self - consistent ...
... self - consistent calculation differ in the second place of decimal . The difference of 0.28 and 0.08 eV in Ecorr for Al and Mg , respectively , between the values of Zaremba et al . ( 1977 ) ( who performed a fully self - consistent ...
Contents
Photoelectron Spectroscopy as an Electronic | 99 |
Electronic Structure and the ElectronPhonon Interaction | 165 |
Elastic Properties of Transition Metals | 223 |
Copyright | |
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Electronic Structure and Properties: Treatise on Materials ..., Volume 21 Frank Y. Fradin Limited preview - 2016 |
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alloys anomalies appears approach approximation atom band structure calculated changes charge charge density compared component compounds conduction contribution corresponding crystal curve defect density dependence derivatives described determined direction discussed distribution e/at effect elastic constants electrical electron electron-phonon electronic structure elements energy et al example excitation expected experiment experimental Fermi surface field Freeman function given gives hydrogen important impurity increase indicate interaction ions Jena lattice Lett magnetic materials measured metals method negative normal noted observed obtained peak phase phonon Phys Physics positive positron potential properties proton recent region relative resistivity respectively response sample scattering shear shift shown in Fig shows similar solid solutions strain Table temperature term theoretical theory tion transition transition metals vacancy values variation void volume wave York