Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting

Among chalcogenide thermoelectric materials, SnTe is an excellent candidate for intermediate temperature applications, in replacement of toxic PbTe. We have prepared pure polycrystalline SnTe by arc melting, and investigated the structural evolution by temperature-dependent neutron powder diffractio...

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Authors: Gainza, Javier, Serrano Sánchez, Federico, Rodrigues, Joao Elias F. S., Dura, Óscar J., Fragoso, Brenda, Ferrer, Mateus M., Nemes, Norbert Marcel, Martínez, José Luis, Fernández Díaz, María T., Alonso, José Antonio
Format: article
Publication Date:2023
Country:España
Institution:Universidad Complutense de Madrid (UCM)
Repository:Docta Complutense
Language:English
OAI Identifier:oai:docta.ucm.es:20.500.14352/73232
Online Access:https://hdl.handle.net/20.500.14352/73232
Access Level:Open access
Keyword:538.9
Thermoelectrics
Neutron powder diffraction
Ge deficiency
Structural phase transition
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
id ES_18bd12eca552e79b1db209bdcf8a9d02
oai_identifier_str oai:docta.ucm.es:20.500.14352/73232
network_acronym_str ES
network_name_str España
repository_id_str
spelling Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc meltingGainza, JavierSerrano Sánchez, FedericoRodrigues, Joao Elias F. S.Dura, Óscar J.Fragoso, BrendaFerrer, Mateus M.Nemes, Norbert MarcelMartínez, José LuisFernández Díaz, María T.Alonso, José Antonio538.9ThermoelectricsNeutron powder diffractionGe deficiencyStructural phase transitionFísica de materialesFísica del estado sólido2211 Física del Estado SólidoAmong chalcogenide thermoelectric materials, SnTe is an excellent candidate for intermediate temperature applications, in replacement of toxic PbTe. We have prepared pure polycrystalline SnTe by arc melting, and investigated the structural evolution by temperature-dependent neutron powder diffraction (NPD) from room temperature up to 973 K. In this temperature range, the sample is cubic (space group Fm-3m) and shows considerably larger displacement parameters for Te than for Sn. The structural analysis allowed the determination of the Debye model parameters and provided information on the Sn-Te chemical bonds. SEM images show a conspicuous nanostructuration in layers below 30 nm thick, which contributes to the reduction of the thermal conductivity down to 2.5 W/m center dot K at 800 K. The SPS treatment seems to reduce the number of Sn vacancies, thus diminishing the carrier density and increasing the Seebeck coefficient, which reaches 60 mu V K^(-1) at 700 K, as well as the weighted mobility, almost doubled compared with that of the as-grown sample.MDPIUniversidad Complutense de Madrid20232023-01-0120232023-01-01journal articlehttp://purl.org/coar/resource_type/c_6501info:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/20.500.14352/73232reponame:Docta Complutenseinstname:Universidad Complutense de Madrid (UCM)Inglésengopen accesshttp://purl.org/coar/access_right/c_abf2Atribución 3.0 Españahttps://creativecommons.org/licenses/by/3.0/es/info:eu-repo/semantics/openAccessoai:docta.ucm.es:20.500.14352/732322026-06-02T12:44:21Z
dc.title.none.fl_str_mv Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
title Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
spellingShingle Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
Gainza, Javier
538.9
Thermoelectrics
Neutron powder diffraction
Ge deficiency
Structural phase transition
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
title_short Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
title_full Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
title_fullStr Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
title_full_unstemmed Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
title_sort Structural evolution from neutron powder diffraction of nanostructured snte obtained by arc melting
dc.creator.none.fl_str_mv Gainza, Javier
Serrano Sánchez, Federico
Rodrigues, Joao Elias F. S.
Dura, Óscar J.
Fragoso, Brenda
Ferrer, Mateus M.
Nemes, Norbert Marcel
Martínez, José Luis
Fernández Díaz, María T.
Alonso, José Antonio
author Gainza, Javier
author_facet Gainza, Javier
Serrano Sánchez, Federico
Rodrigues, Joao Elias F. S.
Dura, Óscar J.
Fragoso, Brenda
Ferrer, Mateus M.
Nemes, Norbert Marcel
Martínez, José Luis
Fernández Díaz, María T.
Alonso, José Antonio
author_role author
author2 Serrano Sánchez, Federico
Rodrigues, Joao Elias F. S.
Dura, Óscar J.
Fragoso, Brenda
Ferrer, Mateus M.
Nemes, Norbert Marcel
Martínez, José Luis
Fernández Díaz, María T.
Alonso, José Antonio
author2_role author
author
author
author
author
author
author
author
author
dc.contributor.none.fl_str_mv Universidad Complutense de Madrid
dc.subject.none.fl_str_mv 538.9
Thermoelectrics
Neutron powder diffraction
Ge deficiency
Structural phase transition
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
topic 538.9
Thermoelectrics
Neutron powder diffraction
Ge deficiency
Structural phase transition
Física de materiales
Física del estado sólido
2211 Física del Estado Sólido
description Among chalcogenide thermoelectric materials, SnTe is an excellent candidate for intermediate temperature applications, in replacement of toxic PbTe. We have prepared pure polycrystalline SnTe by arc melting, and investigated the structural evolution by temperature-dependent neutron powder diffraction (NPD) from room temperature up to 973 K. In this temperature range, the sample is cubic (space group Fm-3m) and shows considerably larger displacement parameters for Te than for Sn. The structural analysis allowed the determination of the Debye model parameters and provided information on the Sn-Te chemical bonds. SEM images show a conspicuous nanostructuration in layers below 30 nm thick, which contributes to the reduction of the thermal conductivity down to 2.5 W/m center dot K at 800 K. The SPS treatment seems to reduce the number of Sn vacancies, thus diminishing the carrier density and increasing the Seebeck coefficient, which reaches 60 mu V K^(-1) at 700 K, as well as the weighted mobility, almost doubled compared with that of the as-grown sample.
publishDate 2023
dc.date.none.fl_str_mv 2023
2023-01-01
2023
2023-01-01
dc.type.none.fl_str_mv journal article
http://purl.org/coar/resource_type/c_6501
dc.type.openaire.fl_str_mv info:eu-repo/semantics/article
format article
dc.identifier.none.fl_str_mv https://hdl.handle.net/20.500.14352/73232
url https://hdl.handle.net/20.500.14352/73232
dc.language.none.fl_str_mv Inglés
eng
language_invalid_str_mv Inglés
language eng
dc.rights.none.fl_str_mv open access
http://purl.org/coar/access_right/c_abf2
Atribución 3.0 España
https://creativecommons.org/licenses/by/3.0/es/
dc.rights.openaire.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv open access
http://purl.org/coar/access_right/c_abf2
Atribución 3.0 España
https://creativecommons.org/licenses/by/3.0/es/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv MDPI
publisher.none.fl_str_mv MDPI
dc.source.none.fl_str_mv reponame:Docta Complutense
instname:Universidad Complutense de Madrid (UCM)
instname_str Universidad Complutense de Madrid (UCM)
reponame_str Docta Complutense
collection Docta Complutense
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15,300724

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