Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)

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 pro...

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Detalles Bibliográficos
Publicado: 2004
Materias:
cerium
palladium
rhodium
ruthenium
silicon
transition element
ab initio calculation
article
electronics
energy
hybridization
hydrostatic pressure
Acceso en línea:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v69_n12_p_Vildosola
http://hdl.handle.net/20.500.12110/paper_10980121_v69_n12_p_Vildosola
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires
id paper:paper_10980121_v69_n12_p_Vildosola
record_format dspace
spelling paper:paper_10980121_v69_n12_p_Vildosola2023-06-08T16:07:26Z Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd) cerium palladium rhodium ruthenium silicon transition element ab initio calculation article electronics energy hybridization hydrostatic pressure 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. 2004 https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v69_n12_p_Vildosola http://hdl.handle.net/20.500.12110/paper_10980121_v69_n12_p_Vildosola
institution Universidad de Buenos Aires
institution_str I-28
repository_str R-134
collection Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA)
topic cerium
palladium
rhodium
ruthenium
silicon
transition element
ab initio calculation
article
electronics
energy
hybridization
hydrostatic pressure
spellingShingle cerium
palladium
rhodium
ruthenium
silicon
transition element
ab initio calculation
article
electronics
energy
hybridization
hydrostatic pressure
Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
topic_facet cerium
palladium
rhodium
ruthenium
silicon
transition element
ab initio calculation
article
electronics
energy
hybridization
hydrostatic pressure
description 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.
title Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
title_short Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
title_full Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
title_fullStr Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
title_full_unstemmed Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd)
title_sort influence of 4f hybridization on the structural and electronic properties of cem2si2(m = ru, rh, and pd)
publishDate 2004
url https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v69_n12_p_Vildosola
http://hdl.handle.net/20.500.12110/paper_10980121_v69_n12_p_Vildosola
_version_ 1768546080917553152

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