Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5

Autores
Rocca, Javier Alejandro; Bilovol, Vitaliy; Errandonea, Daniel; Gil Rebaza, Arles Víctor; Mudarra Navarro, Azucena Marisol; Medina Chanduví, Hugo Harold; Errico, Leonardo Antonio; Arcondo, Bibiana Graciela; Fontana, Marcelo Raúl; Cuellar Rodríguez, O.; Ureña, María Andrea
Año de publicación
2019
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
(Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ alloys (with x = 0, 2.5, 5.0 and 7.5 at. %) have been synthesized and characterized in order to determine the crystalline structure and properties of materials obtained upon solidification and to extract information about the location of the Sn atom in the Sb-Te matrix. Powder X-ray diffraction (XRD) has been used to determine the crystalline structure, whereas Mössbauer spectroscopy has been utilized to determine the localization and the local structure of the Sn atom in the Sb-Te matrix through the hyperfine interactions of the ¹¹⁹Sn probe with its environment.We found that Sb₇₀Te₃₀ crystallizes in a trigonal structure belonging to P-3m1 space group, while the doping with Sn leads to structural distortions of the unit cell that can be described, for all the Sn concentrations, with the C2/m space group. The hyperfine parameters indicate that tin behaves as Sn(II) and has a slightly distorted environment. Finally, in order to extract all the information that the experimental results contain and to determine the preferential site occupied by the Sn impurities in the Sb-Te matrix, we have performed ab-initio calculations within the framework of the Density Functional Theory. The theoretical results enable us to determine the structural and electronic ground state of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ compounds and to confirm that Sn atoms substitute Sb atoms in the Sb-Te host.
Facultad de Ciencias Exactas
Instituto de Física La Plata
Materia
Ciencias Exactas
Física
chalcogenide alloys
crystalline structure
¹¹⁹Sn Mössbauer spectroscopy
DFT
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/162218

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repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5Rocca, Javier AlejandroBilovol, VitaliyErrandonea, DanielGil Rebaza, Arles VíctorMudarra Navarro, Azucena MarisolMedina Chanduví, Hugo HaroldErrico, Leonardo AntonioArcondo, Bibiana GracielaFontana, Marcelo RaúlCuellar Rodríguez, O.Ureña, María AndreaCiencias ExactasFísicachalcogenide alloyscrystalline structure¹¹⁹Sn Mössbauer spectroscopyDFT(Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ alloys (with x = 0, 2.5, 5.0 and 7.5 at. %) have been synthesized and characterized in order to determine the crystalline structure and properties of materials obtained upon solidification and to extract information about the location of the Sn atom in the Sb-Te matrix. Powder X-ray diffraction (XRD) has been used to determine the crystalline structure, whereas Mössbauer spectroscopy has been utilized to determine the localization and the local structure of the Sn atom in the Sb-Te matrix through the hyperfine interactions of the ¹¹⁹Sn probe with its environment.We found that Sb₇₀Te₃₀ crystallizes in a trigonal structure belonging to P-3m1 space group, while the doping with Sn leads to structural distortions of the unit cell that can be described, for all the Sn concentrations, with the C2/m space group. The hyperfine parameters indicate that tin behaves as Sn(II) and has a slightly distorted environment. Finally, in order to extract all the information that the experimental results contain and to determine the preferential site occupied by the Sn impurities in the Sb-Te matrix, we have performed ab-initio calculations within the framework of the Density Functional Theory. The theoretical results enable us to determine the structural and electronic ground state of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ compounds and to confirm that Sn atoms substitute Sb atoms in the Sb-Te host.Facultad de Ciencias ExactasInstituto de Física La Plata2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdf27-33http://sedici.unlp.edu.ar/handle/10915/162218enginfo:eu-repo/semantics/altIdentifier/issn/0925-8388info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jallcom.2019.04.214info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by/4.0/Creative Commons Attribution 4.0 International (CC BY 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:42:36Zoai:sedici.unlp.edu.ar:10915/162218Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:42:37.222SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
title Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
spellingShingle Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
Rocca, Javier Alejandro
Ciencias Exactas
Física
chalcogenide alloys
crystalline structure
¹¹⁹Sn Mössbauer spectroscopy
DFT
title_short Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
title_full Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
title_fullStr Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
title_full_unstemmed Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
title_sort Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
dc.creator.none.fl_str_mv Rocca, Javier Alejandro
Bilovol, Vitaliy
Errandonea, Daniel
Gil Rebaza, Arles Víctor
Mudarra Navarro, Azucena Marisol
Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
Arcondo, Bibiana Graciela
Fontana, Marcelo Raúl
Cuellar Rodríguez, O.
Ureña, María Andrea
author Rocca, Javier Alejandro
author_facet Rocca, Javier Alejandro
Bilovol, Vitaliy
Errandonea, Daniel
Gil Rebaza, Arles Víctor
Mudarra Navarro, Azucena Marisol
Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
Arcondo, Bibiana Graciela
Fontana, Marcelo Raúl
Cuellar Rodríguez, O.
Ureña, María Andrea
author_role author
author2 Bilovol, Vitaliy
Errandonea, Daniel
Gil Rebaza, Arles Víctor
Mudarra Navarro, Azucena Marisol
Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
Arcondo, Bibiana Graciela
Fontana, Marcelo Raúl
Cuellar Rodríguez, O.
Ureña, María Andrea
author2_role author
author
author
author
author
author
author
author
author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Física
chalcogenide alloys
crystalline structure
¹¹⁹Sn Mössbauer spectroscopy
DFT
topic Ciencias Exactas
Física
chalcogenide alloys
crystalline structure
¹¹⁹Sn Mössbauer spectroscopy
DFT
dc.description.none.fl_txt_mv (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ alloys (with x = 0, 2.5, 5.0 and 7.5 at. %) have been synthesized and characterized in order to determine the crystalline structure and properties of materials obtained upon solidification and to extract information about the location of the Sn atom in the Sb-Te matrix. Powder X-ray diffraction (XRD) has been used to determine the crystalline structure, whereas Mössbauer spectroscopy has been utilized to determine the localization and the local structure of the Sn atom in the Sb-Te matrix through the hyperfine interactions of the ¹¹⁹Sn probe with its environment.We found that Sb₇₀Te₃₀ crystallizes in a trigonal structure belonging to P-3m1 space group, while the doping with Sn leads to structural distortions of the unit cell that can be described, for all the Sn concentrations, with the C2/m space group. The hyperfine parameters indicate that tin behaves as Sn(II) and has a slightly distorted environment. Finally, in order to extract all the information that the experimental results contain and to determine the preferential site occupied by the Sn impurities in the Sb-Te matrix, we have performed ab-initio calculations within the framework of the Density Functional Theory. The theoretical results enable us to determine the structural and electronic ground state of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ compounds and to confirm that Sn atoms substitute Sb atoms in the Sb-Te host.
Facultad de Ciencias Exactas
Instituto de Física La Plata
description (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ alloys (with x = 0, 2.5, 5.0 and 7.5 at. %) have been synthesized and characterized in order to determine the crystalline structure and properties of materials obtained upon solidification and to extract information about the location of the Sn atom in the Sb-Te matrix. Powder X-ray diffraction (XRD) has been used to determine the crystalline structure, whereas Mössbauer spectroscopy has been utilized to determine the localization and the local structure of the Sn atom in the Sb-Te matrix through the hyperfine interactions of the ¹¹⁹Sn probe with its environment.We found that Sb₇₀Te₃₀ crystallizes in a trigonal structure belonging to P-3m1 space group, while the doping with Sn leads to structural distortions of the unit cell that can be described, for all the Sn concentrations, with the C2/m space group. The hyperfine parameters indicate that tin behaves as Sn(II) and has a slightly distorted environment. Finally, in order to extract all the information that the experimental results contain and to determine the preferential site occupied by the Sn impurities in the Sb-Te matrix, we have performed ab-initio calculations within the framework of the Density Functional Theory. The theoretical results enable us to determine the structural and electronic ground state of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓSnₓ compounds and to confirm that Sn atoms substitute Sb atoms in the Sb-Te host.
publishDate 2019
dc.date.none.fl_str_mv 2019
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
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info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://sedici.unlp.edu.ar/handle/10915/162218
url http://sedici.unlp.edu.ar/handle/10915/162218
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0925-8388
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.jallcom.2019.04.214
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by/4.0/
Creative Commons Attribution 4.0 International (CC BY 4.0)
eu_rights_str_mv openAccess
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