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
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/162218
Ver los metadatos del registro completo
| id |
SEDICI_34ea74290d58a7cf5ca3731baaa49fad |
|---|---|
| oai_identifier_str |
oai:sedici.unlp.edu.ar:10915/162218 |
| network_acronym_str |
SEDICI |
| 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:UNLP2025-10-22T17:23:33Zoai: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:13292025-10-22 17:23:34.054SEDICI (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 Articulo http://purl.org/coar/resource_type/c_6501 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 |
| rights_invalid_str_mv |
http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) |
| dc.format.none.fl_str_mv |
application/pdf 27-33 |
| dc.source.none.fl_str_mv |
reponame:SEDICI (UNLP) instname:Universidad Nacional de La Plata instacron:UNLP |
| reponame_str |
SEDICI (UNLP) |
| collection |
SEDICI (UNLP) |
| instname_str |
Universidad Nacional de La Plata |
| instacron_str |
UNLP |
| institution |
UNLP |
| repository.name.fl_str_mv |
SEDICI (UNLP) - Universidad Nacional de La Plata |
| repository.mail.fl_str_mv |
alira@sedici.unlp.edu.ar |
| _version_ |
1846783682959900672 |
| score |
12.982451 |