Abstract:
The crystal-field splittings of the monopnictides and monochalcogenides of cerium (CeX and CeY) and their alloys (Ce X1-x Yx) are calculated by means of an ab initio many-body combined technique. The hybridization functions of the 4f states of cerium with the conduction band for each material are obtained from first principles within the local-density approximation and are used as input for the Anderson impurity model, which is solved within a multiorbital noncrossing approximation. This realistic theoretical approach is able to reproduce the experimental results for the crystal-field splittings of the CeX and CeY series in agreement with previous theoretical calculations. It is also able to describe the nonlinear evolution of the splittings in the Ce X1-x Yx alloys as a function of x. An analysis of the values of the crystal-field splittings in all the compounds can be done in depth in this contribution due to a detailed knowledge of the band structure and crystal environment in combination with many-body physics. © 2007 The American Physical Society.
Registro:
Documento: |
Artículo
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Título: | Evolution of the crystal-field splittings in the compounds CeX (X=P, As, Sb, Bi) and CeY (Y=S, Se, Te) and their alloys Ce X1-x Yx |
Autor: | Roura-Bas, P.; Vildosola, V.; Llois, A.M. |
Filiación: | Departamento de Física, Centro Atómico Constituyentes, Comisión Nacional de Energía Atómica, Argentina Departamento de Física, Universidad de Buenos Aires, Buenos Aires, Argentina
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Año: | 2007
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Volumen: | 75
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Número: | 19
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DOI: |
http://dx.doi.org/10.1103/PhysRevB.75.195129 |
Título revista: | Physical Review B - Condensed Matter and Materials Physics
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Título revista abreviado: | Phys. Rev. B Condens. Matter Mater. Phys.
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ISSN: | 10980121
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CODEN: | PRBMD
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Registro: | https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v75_n19_p_RouraBas |
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Citas:
---------- APA ----------
Roura-Bas, P., Vildosola, V. & Llois, A.M.
(2007)
. Evolution of the crystal-field splittings in the compounds CeX (X=P, As, Sb, Bi) and CeY (Y=S, Se, Te) and their alloys Ce X1-x Yx. Physical Review B - Condensed Matter and Materials Physics, 75(19).
http://dx.doi.org/10.1103/PhysRevB.75.195129---------- CHICAGO ----------
Roura-Bas, P., Vildosola, V., Llois, A.M.
"Evolution of the crystal-field splittings in the compounds CeX (X=P, As, Sb, Bi) and CeY (Y=S, Se, Te) and their alloys Ce X1-x Yx"
. Physical Review B - Condensed Matter and Materials Physics 75, no. 19
(2007).
http://dx.doi.org/10.1103/PhysRevB.75.195129---------- MLA ----------
Roura-Bas, P., Vildosola, V., Llois, A.M.
"Evolution of the crystal-field splittings in the compounds CeX (X=P, As, Sb, Bi) and CeY (Y=S, Se, Te) and their alloys Ce X1-x Yx"
. Physical Review B - Condensed Matter and Materials Physics, vol. 75, no. 19, 2007.
http://dx.doi.org/10.1103/PhysRevB.75.195129---------- VANCOUVER ----------
Roura-Bas, P., Vildosola, V., Llois, A.M. Evolution of the crystal-field splittings in the compounds CeX (X=P, As, Sb, Bi) and CeY (Y=S, Se, Te) and their alloys Ce X1-x Yx. Phys. Rev. B Condens. Matter Mater. Phys. 2007;75(19).
http://dx.doi.org/10.1103/PhysRevB.75.195129