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
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/161993
Ver los metadatos del registro completo
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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:UNLP2025-10-22T17:23:28Zoai: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:13292025-10-22 17:23:28.714SEDICI (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 |
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2021-10 |
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eng |
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eng |
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