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Abstract:

Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments. © 2015 Elsevier Ltd. All rights reserved.

Registro:

Documento: Artículo
Título:Electron momentum density and Compton profile by a semi-empirical approach
Autor:Aguiar, J.C.; Mitnik, D.; Di Rocco, H.O.
Filiación:Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, Buenos Aires, C1429BNP, Argentina
Instituto de Astronomía y Física Del Espacio, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, C.C. 67, Suc. 28, Buenos Aires, C1428EGA, Argentina
Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina
Instituto de Física Arroyo Seco, CIFICEN (CONICET-UNCPBA), Pinto 399, Tandil, 7000, Argentina
Palabras clave:Approximation; Compton profile; Electron momentum density; Lam-Platzman correction; Local density; Beryllium; Compton scattering; Distribution functions; Electron gas; Electron-electron interactions; Ground state; Kinetic energy; Kinetics; Momentum; Analytical expressions; Approximation; Compton profiles; Conduction electrons; Electron momentum densities; Fermi-Dirac distribution function; Local density; Semi-empirical approach; Electrons
Año:2015
Volumen:83
Página de inicio:64
Página de fin:69
DOI: http://dx.doi.org/10.1016/j.jpcs.2015.03.023
Título revista:Journal of Physics and Chemistry of Solids
Título revista abreviado:J Phys Chem Solids
ISSN:00223697
CODEN:JPCSA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_00223697_v83_n_p64_Aguiar

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Citas:

---------- APA ----------
Aguiar, J.C., Mitnik, D. & Di Rocco, H.O. (2015) . Electron momentum density and Compton profile by a semi-empirical approach. Journal of Physics and Chemistry of Solids, 83, 64-69.
http://dx.doi.org/10.1016/j.jpcs.2015.03.023
---------- CHICAGO ----------
Aguiar, J.C., Mitnik, D., Di Rocco, H.O. "Electron momentum density and Compton profile by a semi-empirical approach" . Journal of Physics and Chemistry of Solids 83 (2015) : 64-69.
http://dx.doi.org/10.1016/j.jpcs.2015.03.023
---------- MLA ----------
Aguiar, J.C., Mitnik, D., Di Rocco, H.O. "Electron momentum density and Compton profile by a semi-empirical approach" . Journal of Physics and Chemistry of Solids, vol. 83, 2015, pp. 64-69.
http://dx.doi.org/10.1016/j.jpcs.2015.03.023
---------- VANCOUVER ----------
Aguiar, J.C., Mitnik, D., Di Rocco, H.O. Electron momentum density and Compton profile by a semi-empirical approach. J Phys Chem Solids. 2015;83:64-69.
http://dx.doi.org/10.1016/j.jpcs.2015.03.023