Momentum density spectroscopy of Pd: Comparison of 2D-ACAR and Compton scattering using a 1D-to-2D reconstruction method

نویسندگان

چکیده

Two-dimensional angular correlation of annihilation radiation (2D-ACAR) and Compton scattering are both powerful techniques to investigate the bulk electronic structure crystalline solids through momentum density electrons. Here we apply methods a single crystal Pd study electron occupancy in first Brillouin zone, point out complementary nature two techniques. To retrieve 2D spectra from 1D profiles, new direct inversion method (DIM) is implemented benchmarked against well-established Cormack's method. The comparison experimental with principles functional theory calculations photon clearly reveals importance positron probing effects on determination structure. While good agreement data, our results highlight some significant discrepancies.

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ژورنال

عنوان ژورنال: Physical review

سال: 2021

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.104.075160