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Vibrational and structural properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) (\(R=\)Na, K, Ca, Sr, Ba) filled skutterudites
Vibrational and elastic properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) skutterudites are investigated by, respectively, temperature \((T)\) dependent extended X-ray absorption fine structure (EXAFS) and pressure \((P)\) dependent x-ray diffraction (XRD) experiments. The Fe \(K\)-edge EXAFS experiments...
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creator | de Abrantes, Juliana G Cantarino, Marli R Wagner R da Silva Neto Freire, Victória V Figueiredo, Alvaro G Germano, Tarsis M Mounssef, Bassim Bittar, Eduardo M Leithe-Jasper, Andreas Garcia, Fernando A |
description | Vibrational and elastic properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) skutterudites are investigated by, respectively, temperature \((T)\) dependent extended X-ray absorption fine structure (EXAFS) and pressure \((P)\) dependent x-ray diffraction (XRD) experiments. The Fe \(K\)-edge EXAFS experiments of the \(R=\) K, Ca and Ba materials were performed in the \(T\)-interval \(6 |
doi_str_mv | 10.48550/arxiv.2203.14821 |
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The Fe \(K\)-edge EXAFS experiments of the \(R=\) K, Ca and Ba materials were performed in the \(T\)-interval \(6<T<300\) K and XRD experiments of the \(R=\) Na, K, Ca, Sr and Ba materials were performed in the \(P\)-interval \(1\text{ atm }<P<16\) GPa. From EXAFS, we obtained the correlated Debye-Waller parameters that were thus analyzed to extract effective spring constants connected with the Fe-\(Y\) (where \(Y=\) either \(R\), Fe or Sb) scattering paths. Our findings suggest that in the case of the light cations, \(R=\) K or Ca, the \(R\) atoms are relatively weakly coupled to the cage, in a scenario reminiscent to the Einstein oscillators. From the XRD experiments, we obtained the bulk modulus \(B_{0}\) for all \(R=\)Na, K, Ca, Sr and Ba materials, with values ranging from \(77\) GPa (\(R=\) K) to \(R=99\) GPa (\(R=\) Ba) as well as the compressibility \(\beta\) as a function of \(P\). The trend in \(\beta\) as a function of the \(R\) filler is discussed and it is shown that it does not correlate with simple geometrical considerations but rather with the filler-cage bonding properties.</description><identifier>EISSN: 2331-8422</identifier><identifier>DOI: 10.48550/arxiv.2203.14821</identifier><language>eng</language><publisher>Ithaca: Cornell University Library, arXiv.org</publisher><subject>Barium ; Bulk modulus ; Calcium ; Compressibility ; Debye-Waller factor ; Elastic properties ; Experiments ; Fine structure ; Oscillators ; Pressure dependence ; Sodium ; Strontium ; Temperature dependence ; X ray absorption ; X-ray diffraction</subject><ispartof>arXiv.org, 2022-08</ispartof><rights>2022. This work is published under http://creativecommons.org/licenses/by/4.0/ (the “License”). 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The Fe \(K\)-edge EXAFS experiments of the \(R=\) K, Ca and Ba materials were performed in the \(T\)-interval \(6<T<300\) K and XRD experiments of the \(R=\) Na, K, Ca, Sr and Ba materials were performed in the \(P\)-interval \(1\text{ atm }<P<16\) GPa. From EXAFS, we obtained the correlated Debye-Waller parameters that were thus analyzed to extract effective spring constants connected with the Fe-\(Y\) (where \(Y=\) either \(R\), Fe or Sb) scattering paths. Our findings suggest that in the case of the light cations, \(R=\) K or Ca, the \(R\) atoms are relatively weakly coupled to the cage, in a scenario reminiscent to the Einstein oscillators. From the XRD experiments, we obtained the bulk modulus \(B_{0}\) for all \(R=\)Na, K, Ca, Sr and Ba materials, with values ranging from \(77\) GPa (\(R=\) K) to \(R=99\) GPa (\(R=\) Ba) as well as the compressibility \(\beta\) as a function of \(P\). The trend in \(\beta\) as a function of the \(R\) filler is discussed and it is shown that it does not correlate with simple geometrical considerations but rather with the filler-cage bonding properties.</description><subject>Barium</subject><subject>Bulk modulus</subject><subject>Calcium</subject><subject>Compressibility</subject><subject>Debye-Waller factor</subject><subject>Elastic properties</subject><subject>Experiments</subject><subject>Fine structure</subject><subject>Oscillators</subject><subject>Pressure dependence</subject><subject>Sodium</subject><subject>Strontium</subject><subject>Temperature dependence</subject><subject>X ray absorption</subject><subject>X-ray diffraction</subject><issn>2331-8422</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2022</creationdate><recordtype>article</recordtype><sourceid>PIMPY</sourceid><recordid>eNqNTsFKAzEUDIJg0X6AtwdedmG7Ji_Juh68WCyC4KEtngJLarOYunTrS1IE8d-N4Ad4mhlmmBnGLgWvVas1v7b06Y81Ipe1UC2KEzZBKcWsVYhnbBrCjnOOzQ1qLSfs-OI3ZKMf93YAu99CiJReY6IsDzQeHEXvAow9xDcHpliacuFM0X2pb1OuNr9MYKZQZO_OlM-2gqcK5hlWVMG9LaH3w-By8XuK0VHa-ujCBTvt7RDc9A_P2dXiYT1_nOXNj-RC7HZjovwpdNgopdvmVkj5v9QP5WlPUA</recordid><startdate>20220815</startdate><enddate>20220815</enddate><creator>de Abrantes, Juliana G</creator><creator>Cantarino, Marli R</creator><creator>Wagner R da Silva Neto</creator><creator>Freire, Victória V</creator><creator>Figueiredo, Alvaro G</creator><creator>Germano, Tarsis M</creator><creator>Mounssef, Bassim</creator><creator>Bittar, Eduardo M</creator><creator>Leithe-Jasper, Andreas</creator><creator>Garcia, Fernando A</creator><general>Cornell University Library, arXiv.org</general><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>ABUWG</scope><scope>AFKRA</scope><scope>AZQEC</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>L6V</scope><scope>M7S</scope><scope>PIMPY</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope><scope>PRINS</scope><scope>PTHSS</scope></search><sort><creationdate>20220815</creationdate><title>Vibrational and structural properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) (\(R=\)Na, K, Ca, Sr, Ba) filled skutterudites</title><author>de Abrantes, Juliana G ; Cantarino, Marli R ; Wagner R da Silva Neto ; Freire, Victória V ; Figueiredo, Alvaro G ; Germano, Tarsis M ; Mounssef, Bassim ; Bittar, Eduardo M ; Leithe-Jasper, Andreas ; Garcia, Fernando A</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_journals_26445869133</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2022</creationdate><topic>Barium</topic><topic>Bulk modulus</topic><topic>Calcium</topic><topic>Compressibility</topic><topic>Debye-Waller factor</topic><topic>Elastic properties</topic><topic>Experiments</topic><topic>Fine structure</topic><topic>Oscillators</topic><topic>Pressure dependence</topic><topic>Sodium</topic><topic>Strontium</topic><topic>Temperature dependence</topic><topic>X ray absorption</topic><topic>X-ray diffraction</topic><toplevel>online_resources</toplevel><creatorcontrib>de Abrantes, Juliana G</creatorcontrib><creatorcontrib>Cantarino, Marli R</creatorcontrib><creatorcontrib>Wagner R da Silva Neto</creatorcontrib><creatorcontrib>Freire, Victória V</creatorcontrib><creatorcontrib>Figueiredo, Alvaro G</creatorcontrib><creatorcontrib>Germano, Tarsis M</creatorcontrib><creatorcontrib>Mounssef, Bassim</creatorcontrib><creatorcontrib>Bittar, Eduardo M</creatorcontrib><creatorcontrib>Leithe-Jasper, Andreas</creatorcontrib><creatorcontrib>Garcia, Fernando A</creatorcontrib><collection>ProQuest SciTech Collection</collection><collection>ProQuest Technology Collection</collection><collection>Materials Science & Engineering Collection</collection><collection>ProQuest Central (Alumni)</collection><collection>ProQuest Central</collection><collection>ProQuest Central Essentials</collection><collection>ProQuest Central</collection><collection>Technology Collection</collection><collection>ProQuest One Community College</collection><collection>ProQuest Central Korea</collection><collection>SciTech Premium Collection</collection><collection>ProQuest Engineering Collection</collection><collection>Engineering Database</collection><collection>Publicly Available Content (ProQuest)</collection><collection>ProQuest One Academic Eastern Edition (DO NOT USE)</collection><collection>ProQuest One Academic</collection><collection>ProQuest One Academic UKI Edition</collection><collection>ProQuest Central China</collection><collection>Engineering collection</collection></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>de Abrantes, Juliana G</au><au>Cantarino, Marli R</au><au>Wagner R da Silva Neto</au><au>Freire, Victória V</au><au>Figueiredo, Alvaro G</au><au>Germano, Tarsis M</au><au>Mounssef, Bassim</au><au>Bittar, Eduardo M</au><au>Leithe-Jasper, Andreas</au><au>Garcia, Fernando A</au><format>book</format><genre>document</genre><ristype>GEN</ristype><atitle>Vibrational and structural properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) (\(R=\)Na, K, Ca, Sr, Ba) filled skutterudites</atitle><jtitle>arXiv.org</jtitle><date>2022-08-15</date><risdate>2022</risdate><eissn>2331-8422</eissn><abstract>Vibrational and elastic properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) skutterudites are investigated by, respectively, temperature \((T)\) dependent extended X-ray absorption fine structure (EXAFS) and pressure \((P)\) dependent x-ray diffraction (XRD) experiments. The Fe \(K\)-edge EXAFS experiments of the \(R=\) K, Ca and Ba materials were performed in the \(T\)-interval \(6<T<300\) K and XRD experiments of the \(R=\) Na, K, Ca, Sr and Ba materials were performed in the \(P\)-interval \(1\text{ atm }<P<16\) GPa. From EXAFS, we obtained the correlated Debye-Waller parameters that were thus analyzed to extract effective spring constants connected with the Fe-\(Y\) (where \(Y=\) either \(R\), Fe or Sb) scattering paths. Our findings suggest that in the case of the light cations, \(R=\) K or Ca, the \(R\) atoms are relatively weakly coupled to the cage, in a scenario reminiscent to the Einstein oscillators. From the XRD experiments, we obtained the bulk modulus \(B_{0}\) for all \(R=\)Na, K, Ca, Sr and Ba materials, with values ranging from \(77\) GPa (\(R=\) K) to \(R=99\) GPa (\(R=\) Ba) as well as the compressibility \(\beta\) as a function of \(P\). 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subjects | Barium Bulk modulus Calcium Compressibility Debye-Waller factor Elastic properties Experiments Fine structure Oscillators Pressure dependence Sodium Strontium Temperature dependence X ray absorption X-ray diffraction |
title | Vibrational and structural properties of the \(R\)Fe\(_{4}\)Sb\(_{12}\) (\(R=\)Na, K, Ca, Sr, Ba) filled skutterudites |
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