Electron momentum density and soft x ray emission spectrum for lithium
R E Borland; J R A Cooper; R E Borland; Division of Numerical and Applied Mathematics, National Physical Laboratory, Teddington, Middlesex, UK; J R A Cooper; Division of Numerical and Applied Mathematics, National Physical Laboratory, Teddington, Middlesex, UK
Журнал:
Journal of Physics F: Metal Physics
Дата:
1971-05-01
Аннотация:
Wavefunctions and energies obtained previously for metallic lithium assuming the Seitz potential are used to calculate the soft x ray emission spectrum. The variation of the transition probability throughout the band is included explicitly, but fails to account for the anomalous shape of the experimental spectrum. A table of transition probabilities T(k) is given; the anisotropies disagree in magnitude with those from a selfconsistent calculation. A set of Algol procedures have been developed, based on the Gilat and Raubenheimer method, which have been used to calculate the emission spectrum and density of states. We obtain a Fermi energy of -0.426 ryd and surface anisotropies of -2.2, + 5.0 and -0.6% in the (100), (110) and (111) directions respectively.Information about the crystal wavefunctions is shown in the form of spherically averaged momentum density functions for the core and conduction bands.
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