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
Autores principales: Vildosola, V., Llois, A.M., Sereni, J.G.
Formato: JOUR
Materias:
cerium
palladium
rhodium
ruthenium
silicon
transition element
ab initio calculation
article
electronics
energy
hybridization
hydrostatic pressure
Acceso en línea: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 todo:paper_10980121_v69_n12_p_Vildosola
record_format dspace
spelling todo:paper_10980121_v69_n12_p_Vildosola2023-10-03T16:05:51Z Influence of 4f hybridization on the structural and electronic properties of CeM2Si2(M = Ru, Rh, and Pd) Vildosola, V. Llois, A.M. Sereni, J.G. 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. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar 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
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)
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.
format JOUR
author Vildosola, V.
Llois, A.M.
Sereni, J.G.
author_facet Vildosola, V.
Llois, A.M.
Sereni, J.G.
author_sort Vildosola, V.
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)
url http://hdl.handle.net/20.500.12110/paper_10980121_v69_n12_p_Vildosola
work_keys_str_mv AT vildosolav influenceof4fhybridizationonthestructuralandelectronicpropertiesofcem2si2mrurhandpd
AT lloisam influenceof4fhybridizationonthestructuralandelectronicpropertiesofcem2si2mrurhandpd
AT serenijg influenceof4fhybridizationonthestructuralandelectronicpropertiesofcem2si2mrurhandpd
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