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Abstract:

We present full potential ab initio calculations to study structural and electronic properties of CeM2Si2 with M = Ru, Rh, and Pd. Two kind of calculations are performed: one considering the 4f states as hybridized ones and another simulating Ce systems with nonhybridized 4f states on structural properties such as equilibrium volume c/a ratio, and bulk modulus and study their evolution together with that of the spin magnetic moment under applied hydrostatic pressure. The results are compared with experimental data. © 2004 The American Physical Society.

Registro:

Documento: Artículo
Título:Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
Autor:Vildosola, V.; Llois, A.M.; Sereni, J.G.
Filiación:Departamento de Fésica, Comisión Nacional de Energéa Atómica, Av. Gral. Paz 1499, San Martén, 1650, Argentina
Departamento de Fésica, FCEyN, University of Buenos Aires, J. J. Giambiag, Buenos Aires, Argentina
Centro Atómico Bariloche, Instituto Balseiro, de Bariloche, 8400, Argentina
Palabras clave:cerium; palladium; rhodium; ruthenium; silicon; transition element; ab initio calculation; article; electronics; energy; hybridization; hydrostatic pressure
Año:2004
Volumen:69
Número:12
DOI: http://dx.doi.org/10.1103/PhysRevB.69.125116
Título revista:Physical Review B - Condensed Matter and Materials Physics
Título revista abreviado:Phys. Rev. B Condens. Matter Mater. Phys.
ISSN:10980121
CAS:cerium, 7440-45-1; rhodium, 7440-16-6; ruthenium, 7440-18-8; silicon, 7440-21-3
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v69_n12_p_Vildosola

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Citas:

---------- APA ----------
Vildosola, V., Llois, A.M. & Sereni, J.G. (2004) . Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd). Physical Review B - Condensed Matter and Materials Physics, 69(12).
http://dx.doi.org/10.1103/PhysRevB.69.125116
---------- CHICAGO ----------
Vildosola, V., Llois, A.M., Sereni, J.G. "Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)" . Physical Review B - Condensed Matter and Materials Physics 69, no. 12 (2004).
http://dx.doi.org/10.1103/PhysRevB.69.125116
---------- MLA ----------
Vildosola, V., Llois, A.M., Sereni, J.G. "Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)" . Physical Review B - Condensed Matter and Materials Physics, vol. 69, no. 12, 2004.
http://dx.doi.org/10.1103/PhysRevB.69.125116
---------- VANCOUVER ----------
Vildosola, V., Llois, A.M., Sereni, J.G. Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd). Phys. Rev. B Condens. Matter Mater. Phys. 2004;69(12).
http://dx.doi.org/10.1103/PhysRevB.69.125116