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Band structure ofLaB6by an algorithm for filtering reconstructed electron-positron momentum densities

2004/09/08 by G. Kontrym-Sznajd, G. Kontrym‐Sznajd, M. Samsel-Czekala +3
Engineering · Materials Science · Physics and Astronomy · #Boron and Carbon Nanomaterials Research #Muon and positron interactions and applications #Rare-earth and actinide compounds #cond-mat.mtrl-sci #cond-mat.str-el

paper · pdf · doi:10.1103/physrevb.70.125103

published as Phys. Rev. B 70, 125103 (2004)

openalex publication_date 2004/09/08 · arxiv created 2004/09/17 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28

Abstract

A new method for filtering three-dimensional reconstructed densities is proposed. The algorithm is tested with simulated spectra and employed to study the electronic structure of the rare-earth compound LaB6. For this system, momentum densities are reconstructed from theoretical and experimental two-dimensional angular correlation of electron-positron annihilation radiation (2D ACAR) spectra. The experimental results are in good agreement with the band structure calculated with the full-potential linearized augmented-plane-wave (FLAPW) method within the local-density approximation (LDA), apart from the detection of small electron pockets in the 15th band. It is also shown that, unlike the electron-positron enhancement, the electron-electron correlations affect noticeably the momentum density.

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