Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5
(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...
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2019
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| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/162218 |
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I19-R120-10915-1622182024-02-02T20:08:07Z http://sedici.unlp.edu.ar/handle/10915/162218 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 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 2019 2024-02-02T14:47:14Z en Ciencias Exactas Física chalcogenide alloys crystalline structure ¹¹⁹Sn Mössbauer spectroscopy DFT (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 Articulo Articulo http://creativecommons.org/licenses/by/4.0/ Creative Commons Attribution 4.0 International (CC BY 4.0) application/pdf 27-33 |
| institution |
Universidad Nacional de La Plata |
| institution_str |
I-19 |
| repository_str |
R-120 |
| collection |
SEDICI (UNLP) |
| language |
Inglés |
| topic |
Ciencias Exactas Física chalcogenide alloys crystalline structure ¹¹⁹Sn Mössbauer spectroscopy DFT |
| spellingShingle |
Ciencias Exactas Física chalcogenide alloys crystalline structure ¹¹⁹Sn Mössbauer spectroscopy DFT 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 Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5 |
| topic_facet |
Ciencias Exactas Física chalcogenide alloys crystalline structure ¹¹⁹Sn Mössbauer spectroscopy DFT |
| 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. |
| format |
Articulo Articulo |
| author |
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_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_sort |
Rocca, Javier Alejandro |
| title |
Structural and Mössbauer study of (Sb₀.₇₀Te₀.₃₀)₁₀₀-ₓ Snₓ alloys with x = 0, 2.5, 5.0 and 7.5 |
| 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 |
| publishDate |
2019 |
| url |
http://sedici.unlp.edu.ar/handle/10915/162218 |
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