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Rubiano, C.A.R.; Bocan, G.A.; Gravielle, M.S.; Bundaleski, N.; Khemliche, H.; Roncin, P. "Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction" (2013) Physical Review A - Atomic, Molecular, and Optical Physics. 87(1)
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Abstract:

Experimental diffraction patterns produced by grazing scattering of fast helium atoms from a Ag(110) surface are used as a sensitive tool to test an ab initio potential model derived from accurate density-functional theory (DFT) calculations. The scattering process is described by means of the surface eikonal approximation, which is a distorted-wave method that includes the quantum interference between contributions coming from different projectile paths, taking into account the complete corrugation of the three-dimensional projectile-surface potential. A fairly good agreement between the theoretical and experimental momentum distributions is found for incidence along different low-indexed crystallographic directions. This agreement is indicative of the quality of the DFT potential. The effective corrugation of the interaction potential across the incidence channel is also investigated. © 2013 American Physical Society.

Registro:

Documento: Artículo
Título:Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction
Autor:Rubiano, C.A.R.; Bocan, G.A.; Gravielle, M.S.; Bundaleski, N.; Khemliche, H.; Roncin, P.
Filiación:Instituto de Astronomía y Física Del Espacio, Consejo Nacional de Investigaciones Científicas y Técnicas, Universidad de Buenos Aires, Casilla de Correo 67, Sucursal 28, 1428 Buenos Aires, Argentina
Centro Atómico Bariloche, Comisión Nacional de Energía Atómica, Consejo Nacional de Investigaciones Científicas y Técnicas, Av. Bustillo 9500, 8400 S.C. de Bariloche, Río Negro, Argentina
CeFITec, Department of Physics, Universidade Nova de Lisboa, P-2829-516 Caparica, Portugal
Institut des Sciences Moléculaires d'Orsay, ISMO, Université Paris-Sud, Bâtiment 351, 91405 Orsay Cedex, France
Palabras clave:Ab initio; Crystallographic directions; DFT potential; Distorted waves; Eikonal approximations; Grazing incidence; Grazing scattering; Helium atom; Interaction potentials; Momentum distributions; Potential Model; Quantum interference; Scattering process; Calculations; Density functional theory; Diffraction; Helium; Projectiles; Surface scattering
Año:2013
Volumen:87
Número:1
DOI: http://dx.doi.org/10.1103/PhysRevA.87.012903
Título revista:Physical Review A - Atomic, Molecular, and Optical Physics
Título revista abreviado:Phys Rev A
ISSN:10502947
CODEN:PLRAA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v87_n1_p_Rubiano

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Citas:

---------- APA ----------
Rubiano, C.A.R., Bocan, G.A., Gravielle, M.S., Bundaleski, N., Khemliche, H. & Roncin, P. (2013) . Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction. Physical Review A - Atomic, Molecular, and Optical Physics, 87(1).
http://dx.doi.org/10.1103/PhysRevA.87.012903
---------- CHICAGO ----------
Rubiano, C.A.R., Bocan, G.A., Gravielle, M.S., Bundaleski, N., Khemliche, H., Roncin, P. "Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction" . Physical Review A - Atomic, Molecular, and Optical Physics 87, no. 1 (2013).
http://dx.doi.org/10.1103/PhysRevA.87.012903
---------- MLA ----------
Rubiano, C.A.R., Bocan, G.A., Gravielle, M.S., Bundaleski, N., Khemliche, H., Roncin, P. "Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction" . Physical Review A - Atomic, Molecular, and Optical Physics, vol. 87, no. 1, 2013.
http://dx.doi.org/10.1103/PhysRevA.87.012903
---------- VANCOUVER ----------
Rubiano, C.A.R., Bocan, G.A., Gravielle, M.S., Bundaleski, N., Khemliche, H., Roncin, P. Ab initio potential for the He-Ag(110) interaction investigated using grazing-incidence fast-atom diffraction. Phys Rev A. 2013;87(1).
http://dx.doi.org/10.1103/PhysRevA.87.012903