Abstract:
Fully relativistic atomic structure calculations for Zr, Nb, Pd, Gd, Er, Hf, Ta, Os, and Pt are presented here. The description of these atoms requires the solution of the Dirac equation. The electron binding energies attained are compared with experimental values, achieving excellent overall agreement for the inner shells. Discrepancies in the outer shell binding energies between the isolated atom and the solid are discussed, giving special attention to the open 4f–subshell. Based on the present calculations, we analyzed the valence shell of the nine elements studied here and propose theoretical values for the Wigner-Seitz radio. © 2019 Elsevier B.V.
Registro:
Documento: |
Artículo
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Título: | Relativistic atomic structure calculations of heavy targets for inelastic collisions |
Autor: | Mendez, A.M.P.; Montanari, C.C.; Mitnik, D.M. |
Filiación: | Instituto de Astronomía y Física del Espacio, CONICET – Universidad de Buenos Aires, Buenos Aires, Argentina
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Palabras clave: | Dirac equation; Fermi Energies; Inelastic collisions; Relativistic atomic structure; Atoms; Fermi level; Linear equations; Plasma collision processes; Atomic structure calculations; Dirac equations; Electron binding energy; Experimental values; Inelastic collision; Isolated atoms; Theoretical values; Valence shells; Binding energy |
Año: | 2019
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DOI: |
http://dx.doi.org/10.1016/j.nimb.2019.02.002 |
Título revista: | Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
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Título revista abreviado: | Nucl Instrum Methods Phys Res Sect B
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ISSN: | 0168583X
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CODEN: | NIMBE
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_0168583X_v_n_p_Mendez |
Referencias:
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- Isaacson, D., Compilation of RS values, New York University Rep. No. 02698 (National Auxiliary Publication Service, NY 1975); Romaniello, P., de Boeij, P.L., Carbone, F., van der Marel, D., (2006) Phys. Rev. B, 73, p. 075115
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- Mendez, A.M.P., Montanari, C.C., Mitnik, D.M., Miraglia, J.E., to be published
Citas:
---------- APA ----------
Mendez, A.M.P., Montanari, C.C. & Mitnik, D.M.
(2019)
. Relativistic atomic structure calculations of heavy targets for inelastic collisions. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms.
http://dx.doi.org/10.1016/j.nimb.2019.02.002---------- CHICAGO ----------
Mendez, A.M.P., Montanari, C.C., Mitnik, D.M.
"Relativistic atomic structure calculations of heavy targets for inelastic collisions"
. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms
(2019).
http://dx.doi.org/10.1016/j.nimb.2019.02.002---------- MLA ----------
Mendez, A.M.P., Montanari, C.C., Mitnik, D.M.
"Relativistic atomic structure calculations of heavy targets for inelastic collisions"
. Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms, 2019.
http://dx.doi.org/10.1016/j.nimb.2019.02.002---------- VANCOUVER ----------
Mendez, A.M.P., Montanari, C.C., Mitnik, D.M. Relativistic atomic structure calculations of heavy targets for inelastic collisions. Nucl Instrum Methods Phys Res Sect B. 2019.
http://dx.doi.org/10.1016/j.nimb.2019.02.002