Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study

Autores
Bilovol, V.; Medina Chanduví, Hugo Harold; Errico, Leonardo Antonio
Año de publicación
2021
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
We present here a combined experimental and theoretical study of the structural and chemical properties of polycrystalline Sn-Sb-Te film with nominal composition SnSb₂Te₄ grown by pulsed laser deposition technique on mylar substrate. From the experimental side, surface-sensitive techniques as x-ray photoelectron spectroscopy (XPS), grazing incidence x-ray diffractometry (GIXRD) and ¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy (ICEMS) have been applied to the study of the film at room-temperature and under normal conditions of pressure. GIXRD showed that the Sn-Sb-Te film adopted a NaCl- type structure (Fm-3m), and in the detection limits, no other crystalline phase was revealed. ICEMS technique unambiguously indicated the coexistence of two different tin fractions: Sn(II), as expected for the SnSb₂Te₄ phase, and Sn(IV), suggesting oxidation of tin. Chemical in-depth profile obtained by means of XPS suggests the oxidation of all the constituent atoms at the topmost layers of the film and the progressive depletion of tin and antimony oxides going depth in the film. The in-depth atomic concentration profiles also reveals a notorious deficiency of Te in the sample. Theoretically, density functional theory-based calculations (assuming that the Sn-Sb-Te film adopts the Fm-3m structure) support the hypothesis that Te - vacancies sites are occupied by oxygen atoms during the natural oxidation process of Sn-Sb-Te film. Additionally, our calculations demonstrated that only the substitution of Te atoms by oxygen ones induces a semiconducting behavior of the otherwise metallic Sn-Sb-Te host.
Facultad de Ciencias Exactas
Instituto de Física La Plata
Materia
Ciencias Exactas
Física
tin antimony telluride
thin films
grazing incidence x-ray diffraction
¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy
density functional theory
x-ray photoelectron spectroscopy
Nivel de accesibilidad
acceso abierto
Condiciones de uso
http://creativecommons.org/licenses/by-nc-nd/4.0/
Repositorio
SEDICI (UNLP)
Institución
Universidad Nacional de La Plata
OAI Identificador
oai:sedici.unlp.edu.ar:10915/161993

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oai_identifier_str oai:sedici.unlp.edu.ar:10915/161993
network_acronym_str SEDICI
repository_id_str 1329
network_name_str SEDICI (UNLP)
spelling Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based studyBilovol, V.Medina Chanduví, Hugo HaroldErrico, Leonardo AntonioCiencias ExactasFísicatin antimony telluridethin filmsgrazing incidence x-ray diffraction¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopydensity functional theoryx-ray photoelectron spectroscopyWe present here a combined experimental and theoretical study of the structural and chemical properties of polycrystalline Sn-Sb-Te film with nominal composition SnSb₂Te₄ grown by pulsed laser deposition technique on mylar substrate. From the experimental side, surface-sensitive techniques as x-ray photoelectron spectroscopy (XPS), grazing incidence x-ray diffractometry (GIXRD) and ¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy (ICEMS) have been applied to the study of the film at room-temperature and under normal conditions of pressure. GIXRD showed that the Sn-Sb-Te film adopted a NaCl- type structure (Fm-3m), and in the detection limits, no other crystalline phase was revealed. ICEMS technique unambiguously indicated the coexistence of two different tin fractions: Sn(II), as expected for the SnSb₂Te₄ phase, and Sn(IV), suggesting oxidation of tin. Chemical in-depth profile obtained by means of XPS suggests the oxidation of all the constituent atoms at the topmost layers of the film and the progressive depletion of tin and antimony oxides going depth in the film. The in-depth atomic concentration profiles also reveals a notorious deficiency of Te in the sample. Theoretically, density functional theory-based calculations (assuming that the Sn-Sb-Te film adopts the Fm-3m structure) support the hypothesis that Te - vacancies sites are occupied by oxygen atoms during the natural oxidation process of Sn-Sb-Te film. Additionally, our calculations demonstrated that only the substitution of Te atoms by oxygen ones induces a semiconducting behavior of the otherwise metallic Sn-Sb-Te host.Facultad de Ciencias ExactasInstituto de Física La Plata2021-10info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/161993enginfo:eu-repo/semantics/altIdentifier/issn/0040-6090info:eu-repo/semantics/altIdentifier/doi/10.1016/j.tsf.2021.138909info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-29T11:42:31Zoai:sedici.unlp.edu.ar:10915/161993Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-29 11:42:31.404SEDICI (UNLP) - Universidad Nacional de La Platafalse
dc.title.none.fl_str_mv Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
title Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
spellingShingle Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
Bilovol, V.
Ciencias Exactas
Física
tin antimony telluride
thin films
grazing incidence x-ray diffraction
¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy
density functional theory
x-ray photoelectron spectroscopy
title_short Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
title_full Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
title_fullStr Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
title_full_unstemmed Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
title_sort Applying surface-sensitive techniques to structural and chemical study of uncapped Sn-Sb-Te thin film : A density functional theory - based study
dc.creator.none.fl_str_mv Bilovol, V.
Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
author Bilovol, V.
author_facet Bilovol, V.
Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
author_role author
author2 Medina Chanduví, Hugo Harold
Errico, Leonardo Antonio
author2_role author
author
dc.subject.none.fl_str_mv Ciencias Exactas
Física
tin antimony telluride
thin films
grazing incidence x-ray diffraction
¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy
density functional theory
x-ray photoelectron spectroscopy
topic Ciencias Exactas
Física
tin antimony telluride
thin films
grazing incidence x-ray diffraction
¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy
density functional theory
x-ray photoelectron spectroscopy
dc.description.none.fl_txt_mv We present here a combined experimental and theoretical study of the structural and chemical properties of polycrystalline Sn-Sb-Te film with nominal composition SnSb₂Te₄ grown by pulsed laser deposition technique on mylar substrate. From the experimental side, surface-sensitive techniques as x-ray photoelectron spectroscopy (XPS), grazing incidence x-ray diffractometry (GIXRD) and ¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy (ICEMS) have been applied to the study of the film at room-temperature and under normal conditions of pressure. GIXRD showed that the Sn-Sb-Te film adopted a NaCl- type structure (Fm-3m), and in the detection limits, no other crystalline phase was revealed. ICEMS technique unambiguously indicated the coexistence of two different tin fractions: Sn(II), as expected for the SnSb₂Te₄ phase, and Sn(IV), suggesting oxidation of tin. Chemical in-depth profile obtained by means of XPS suggests the oxidation of all the constituent atoms at the topmost layers of the film and the progressive depletion of tin and antimony oxides going depth in the film. The in-depth atomic concentration profiles also reveals a notorious deficiency of Te in the sample. Theoretically, density functional theory-based calculations (assuming that the Sn-Sb-Te film adopts the Fm-3m structure) support the hypothesis that Te - vacancies sites are occupied by oxygen atoms during the natural oxidation process of Sn-Sb-Te film. Additionally, our calculations demonstrated that only the substitution of Te atoms by oxygen ones induces a semiconducting behavior of the otherwise metallic Sn-Sb-Te host.
Facultad de Ciencias Exactas
Instituto de Física La Plata
description We present here a combined experimental and theoretical study of the structural and chemical properties of polycrystalline Sn-Sb-Te film with nominal composition SnSb₂Te₄ grown by pulsed laser deposition technique on mylar substrate. From the experimental side, surface-sensitive techniques as x-ray photoelectron spectroscopy (XPS), grazing incidence x-ray diffractometry (GIXRD) and ¹¹⁹ᵐSn integral conversion electron Möβbauer spectroscopy (ICEMS) have been applied to the study of the film at room-temperature and under normal conditions of pressure. GIXRD showed that the Sn-Sb-Te film adopted a NaCl- type structure (Fm-3m), and in the detection limits, no other crystalline phase was revealed. ICEMS technique unambiguously indicated the coexistence of two different tin fractions: Sn(II), as expected for the SnSb₂Te₄ phase, and Sn(IV), suggesting oxidation of tin. Chemical in-depth profile obtained by means of XPS suggests the oxidation of all the constituent atoms at the topmost layers of the film and the progressive depletion of tin and antimony oxides going depth in the film. The in-depth atomic concentration profiles also reveals a notorious deficiency of Te in the sample. Theoretically, density functional theory-based calculations (assuming that the Sn-Sb-Te film adopts the Fm-3m structure) support the hypothesis that Te - vacancies sites are occupied by oxygen atoms during the natural oxidation process of Sn-Sb-Te film. Additionally, our calculations demonstrated that only the substitution of Te atoms by oxygen ones induces a semiconducting behavior of the otherwise metallic Sn-Sb-Te host.
publishDate 2021
dc.date.none.fl_str_mv 2021-10
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/10915/161993
url http://sedici.unlp.edu.ar/handle/10915/161993
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/issn/0040-6090
info:eu-repo/semantics/altIdentifier/doi/10.1016/j.tsf.2021.138909
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
http://creativecommons.org/licenses/by-nc-nd/4.0/
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
eu_rights_str_mv openAccess
rights_invalid_str_mv http://creativecommons.org/licenses/by-nc-nd/4.0/
Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)
dc.format.none.fl_str_mv application/pdf
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instname:Universidad Nacional de La Plata
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reponame_str SEDICI (UNLP)
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repository.name.fl_str_mv SEDICI (UNLP) - Universidad Nacional de La Plata
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