Abstract:Two-dimensional (2D) angular correlation of annihilation radiation and Compton scattering are both powerful techniques to investigate the bulk electronic structure of crystalline solids through the momentum density of the electrons. Here we apply both methods to a single crystal of Pd to study the electron momentum density and the occupancy in the first Brillouin zone and to point out the complementary nature of the two techniques. To retrieve the 2D spectra from one-dimensional Compton profiles, a direct inve… Show more
“…), however, is significantly better than the values reported in Ref. [72] (0.17 and 0.21 a.u.). The inferior experiment resolution reported in Ref.…”
Section: B Comparison To the Experimental Measurementcontrasting
confidence: 66%
“…The inferior experiment resolution reported in Ref. [72] is due to the spectrometer's relatively short detector-detector distance. The EMD (lower-left quadrants).…”
Section: B Comparison To the Experimental Measurementmentioning
confidence: 95%
“…In a recent paper [72] the differences between the momentum distributions observed by positron annihilation and Compton scattering were investigated. The focus of that study was a new approach for tomographical reconstruction of 2D electron momentum distributions from the 1D Compton profiles rather than observing the impact of electron correlation and relativistic effects on electronic structure of Pd and its Fermi surface.…”
Section: B Comparison To the Experimental Measurementmentioning
Using the combined Density Functional and Dynamical Mean Field theory we study relativistic corrections to the Fermi surface of palladium. We find indeed that relativistic corrections create a small hole pockets at the L-symmetry points. Furthermore we show that the computed two dimensional Angular Correlation of Electron Positron Annihilation Radiation (the so called 2D-ACAR) clearly demonstrates the existence of these L-hole pockets, which remains robust against electronic correlations. A 2D-ACAR experiment should therefore provide the "smoking-gun" proof for the existence of the L-hole pockets in the palladium Fermi surface.
“…), however, is significantly better than the values reported in Ref. [72] (0.17 and 0.21 a.u.). The inferior experiment resolution reported in Ref.…”
Section: B Comparison To the Experimental Measurementcontrasting
confidence: 66%
“…The inferior experiment resolution reported in Ref. [72] is due to the spectrometer's relatively short detector-detector distance. The EMD (lower-left quadrants).…”
Section: B Comparison To the Experimental Measurementmentioning
confidence: 95%
“…In a recent paper [72] the differences between the momentum distributions observed by positron annihilation and Compton scattering were investigated. The focus of that study was a new approach for tomographical reconstruction of 2D electron momentum distributions from the 1D Compton profiles rather than observing the impact of electron correlation and relativistic effects on electronic structure of Pd and its Fermi surface.…”
Section: B Comparison To the Experimental Measurementmentioning
Using the combined Density Functional and Dynamical Mean Field theory we study relativistic corrections to the Fermi surface of palladium. We find indeed that relativistic corrections create a small hole pockets at the L-symmetry points. Furthermore we show that the computed two dimensional Angular Correlation of Electron Positron Annihilation Radiation (the so called 2D-ACAR) clearly demonstrates the existence of these L-hole pockets, which remains robust against electronic correlations. A 2D-ACAR experiment should therefore provide the "smoking-gun" proof for the existence of the L-hole pockets in the palladium Fermi surface.
“…Observing the annihilation radiation provides information about the electronic structure in the momentum space. 29,39,40 This can be calculated from the squared absolute value of the Fourier transform of the wave function of electrons ψ k n ( r ) and positrons function ψ p ( r ) denoted here as ρ 2 γ ( p ). In the independent particle approximation:where γ ( r ) is the enhancement factor and it has a large effect on the annihilation rate.…”
The ELF of V3Si in the (100) plane at x = 1. The four quartets at the corners due to Si show highly localised ELF. Around the two V atoms the ELF, within 0.3–0.5 range, points charge delocalization due to highly metallic nature of the V–V bond.
Using the combined Density Functional and Dynamical Mean Field theory we study relativistic corrections to the Fermi surface of palladium. We find indeed that relativistic corrections create a small hole pockets at the L-symmetry points. Furthermore we show that the computed two dimensional Angular Correlation of Electron Positron Annihilation Radiation (the so called 2D-ACAR) clearly demonstrates the existence of these L-hole pockets, which remains robust against electronic correlations. A 2D-ACAR experiment should therefore provide the "smoking-gun" proof for the existence of the L-hole pockets in the palladium Fermi surface.
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