Electron momentum density and Compton profile by a semi-empirical approach

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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...

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Detalles Bibliográficos
Autor principal: Aguiar, J.C
Otros Autores: Mitnik, D., Di Rocco, Héctor Oscar
Formato: Capítulo de libro
Lenguaje:Inglés
Publicado: Elsevier Ltd 2015
Acceso en línea:Registro en Scopus
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Biblioteca Central Dr. Luis F. Leloir (FCEN) de Universidad de Buenos Aires
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100 1 |a Aguiar, J.C. 
245 1 0 |a Electron momentum density and Compton profile by a semi-empirical approach 
260 |b Elsevier Ltd  |c 2015 
270 1 0 |m Aguiar, J.C.; Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, Argentina 
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506 |2 openaire  |e Política editorial 
520 3 |a 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.  |l eng 
536 |a Detalles de la financiación: Universidad Nacional del Centro de la Provincia de Buenos Aires 
536 |a Detalles de la financiación: We thank the support from Universidad Nacional del Centro de la Provincia de Buenos Aires (UNCPBA, Argentina). We also thank G. Stutz, S. Huotari and Y. Sakurai for kindly providing us with the high resolution Compton profiles of lithium, beryllium and aluminium, respectively. D.M. acknowledges support by UBACyT 239 from Universidad de Buenos Aires , and PIP 200901/552 from CONICET Argentina . 
593 |a Autoridad Regulatoria Nuclear, Av. Del Libertador 8250, Buenos Aires, C1429BNP, Argentina 
593 |a 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 
593 |a Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Argentina 
593 |a Instituto de Física Arroyo Seco, CIFICEN (CONICET-UNCPBA), Pinto 399, Tandil, 7000, Argentina 
690 1 0 |a APPROXIMATION 
690 1 0 |a COMPTON PROFILE 
690 1 0 |a ELECTRON MOMENTUM DENSITY 
690 1 0 |a LAM-PLATZMAN CORRECTION 
690 1 0 |a LOCAL DENSITY 
690 1 0 |a BERYLLIUM 
690 1 0 |a COMPTON SCATTERING 
690 1 0 |a DISTRIBUTION FUNCTIONS 
690 1 0 |a ELECTRON GAS 
690 1 0 |a ELECTRON-ELECTRON INTERACTIONS 
690 1 0 |a GROUND STATE 
690 1 0 |a KINETIC ENERGY 
690 1 0 |a KINETICS 
690 1 0 |a MOMENTUM 
690 1 0 |a ANALYTICAL EXPRESSIONS 
690 1 0 |a APPROXIMATION 
690 1 0 |a COMPTON PROFILES 
690 1 0 |a CONDUCTION ELECTRONS 
690 1 0 |a ELECTRON MOMENTUM DENSITIES 
690 1 0 |a FERMI-DIRAC DISTRIBUTION FUNCTION 
690 1 0 |a LOCAL DENSITY 
690 1 0 |a SEMI-EMPIRICAL APPROACH 
690 1 0 |a ELECTRONS 
700 1 |a Mitnik, D. 
700 1 |a Di Rocco, Héctor Oscar 
773 0 |d Elsevier Ltd, 2015  |g v. 83  |h pp. 64-69  |p J Phys Chem Solids  |x 00223697  |w (AR-BaUEN)CENRE-2180  |t Journal of Physics and Chemistry of Solids 
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