<?xml version="1.0" encoding="utf-8"?>
<TEI xmlns="http://www.tei-c.org/ns/1.0" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xmlns:hal="http://hal.archives-ouvertes.fr/" xmlns:gml="http://www.opengis.net/gml/3.3/" xmlns:gmlce="http://www.opengis.net/gml/3.3/ce" version="1.1" xsi:schemaLocation="http://www.tei-c.org/ns/1.0 http://api.archives-ouvertes.fr/documents/aofr-sword.xsd">
  <teiHeader>
    <fileDesc>
      <titleStmt>
        <title>HAL TEI export of cea-01734608</title>
      </titleStmt>
      <publicationStmt>
        <distributor>CCSD</distributor>
        <availability status="restricted">
          <licence target="https://creativecommons.org/publicdomain/zero/1.0/">CC0 1.0 - Universal</licence>
        </availability>
        <date when="2026-05-03T03:49:14+02:00"/>
      </publicationStmt>
      <sourceDesc>
        <p part="N">HAL API Platform</p>
      </sourceDesc>
    </fileDesc>
  </teiHeader>
  <text>
    <body>
      <listBibl>
        <biblFull>
          <titleStmt>
            <title xml:lang="en">Crystal structure and phonon softening in Ca$_3$Ir$_4$Sn${13}$</title>
            <author role="crp">
              <persName>
                <forename type="first">D. G.</forename>
                <surname>Mazzone</surname>
              </persName>
              <email type="md5">0dbfc3468f5ae7efbea9c5730474bf3a</email>
              <email type="domain">psi.ch</email>
              <idno type="idhal" notation="numeric">1029481</idno>
              <idno type="halauthorid" notation="string">1328536-1029481</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">S.</forename>
                <surname>Gerber</surname>
              </persName>
              <idno type="halauthorid">203185-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">J. L.</forename>
                <surname>Gavilano</surname>
              </persName>
              <idno type="halauthorid">309051-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">R.</forename>
                <surname>Sibille</surname>
              </persName>
              <email type="md5">8e5dd517be344eeb79c46334d31361e6</email>
              <email type="domain">psi.ch</email>
              <idno type="idhal" notation="numeric">1138111</idno>
              <idno type="halauthorid" notation="string">287365-1138111</idno>
              <idno type="IDREF">https://www.idref.fr/169320308</idno>
              <idno type="ORCID">https://orcid.org/0000-0001-6360-7262</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/B-2104-2012</idno>
              <idno type="VIAF">https://viaf.org/viaf/302221265</idno>
              <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/B-2104-2012</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">M.</forename>
                <surname>Medarde</surname>
              </persName>
              <idno type="halauthorid">279963-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">B.</forename>
                <surname>Delley</surname>
              </persName>
              <idno type="halauthorid">267950-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">M.</forename>
                <surname>Ramakrishnan</surname>
              </persName>
              <idno type="halauthorid">1203354-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">M.</forename>
                <surname>Neugebauer</surname>
              </persName>
              <idno type="halauthorid">1328144-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">Louis Pierre</forename>
                <surname>Regnault</surname>
              </persName>
              <idno type="halauthorid">1246354-0</idno>
              <affiliation ref="#struct-40365"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">D.</forename>
                <surname>Chernyshov</surname>
              </persName>
              <idno type="halauthorid">232141-0</idno>
              <affiliation ref="#struct-2568"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">A.</forename>
                <surname>Piovano</surname>
              </persName>
              <idno type="halauthorid">1090724-0</idno>
              <affiliation ref="#struct-2569"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">T. M.</forename>
                <surname>Fernandez-Diaz</surname>
              </persName>
              <idno type="halauthorid">1328145-0</idno>
              <affiliation ref="#struct-2569"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">L.</forename>
                <surname>Keller</surname>
              </persName>
              <idno type="halauthorid">84312-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">A.</forename>
                <surname>Cervellino</surname>
              </persName>
              <idno type="halauthorid">1328146-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">E.</forename>
                <surname>Pomjakushina</surname>
              </persName>
              <idno type="halauthorid">698274-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">K.</forename>
                <surname>Conder</surname>
              </persName>
              <idno type="halauthorid">340538-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <author role="aut">
              <persName>
                <forename type="first">M.</forename>
                <surname>Kenzelmann</surname>
              </persName>
              <idno type="halauthorid">1302859-0</idno>
              <affiliation ref="#struct-86596"/>
            </author>
            <editor role="depositor">
              <persName>
                <forename>Jérôme</forename>
                <surname>Planès</surname>
              </persName>
              <email type="md5">de2aa076881861e9a21b5a82ef56b482</email>
              <email type="domain">cea.fr.invalid</email>
            </editor>
          </titleStmt>
          <editionStmt>
            <edition n="v1" type="current">
              <date type="whenSubmitted">2018-03-14 18:04:12</date>
              <date type="whenModified">2025-10-16 09:22:04</date>
              <date type="whenReleased">2018-03-14 18:04:12</date>
              <date type="whenProduced">2015</date>
              <ref type="externalLink" target="http://arxiv.org/pdf/1503.08102"/>
            </edition>
            <respStmt>
              <resp>contributor</resp>
              <name key="105389">
                <persName>
                  <forename>Jérôme</forename>
                  <surname>Planès</surname>
                </persName>
                <email type="md5">de2aa076881861e9a21b5a82ef56b482</email>
                <email type="domain">cea.fr.invalid</email>
              </name>
            </respStmt>
          </editionStmt>
          <publicationStmt>
            <distributor>CCSD</distributor>
            <idno type="halId">cea-01734608</idno>
            <idno type="halUri">https://cea.hal.science/cea-01734608</idno>
            <idno type="halBibtex">mazzone:cea-01734608</idno>
            <idno type="halRefHtml">&lt;i&gt;Physical Review B: Condensed Matter and Materials Physics (1998-2015)&lt;/i&gt;, 2015, 92, pp.024101. &lt;a target="_blank" href="https://dx.doi.org/10.1103/PhysRevB.92.024101"&gt;&amp;#x27E8;10.1103/PhysRevB.92.024101&amp;#x27E9;&lt;/a&gt;</idno>
            <idno type="halRef">Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2015, 92, pp.024101. &amp;#x27E8;10.1103/PhysRevB.92.024101&amp;#x27E9;</idno>
            <availability status="restricted"/>
          </publicationStmt>
          <seriesStmt>
            <idno type="stamp" n="CEA">CEA - Commissariat à l'énergie atomique</idno>
            <idno type="stamp" n="UGA">HAL Grenoble Alpes</idno>
            <idno type="stamp" n="INAC-SPSMS" corresp="DSM-INAC">INAC-SPSMS</idno>
            <idno type="stamp" n="DSM-INAC" corresp="CEA">INAC</idno>
            <idno type="stamp" n="CEA-DRF" corresp="CEA">Direction de Recherche Fondamentale</idno>
            <idno type="stamp" n="IRIG" corresp="CEA">Institut de Recherche Interdisciplinaire de Grenoble</idno>
            <idno type="stamp" n="CEA-GRE" corresp="CEA">CEA Grenoble</idno>
            <idno type="stamp" n="ESRF"> European Synchrotron Radiation Facility</idno>
            <idno type="stamp" n="ILL">Institut Laue-Langevin </idno>
            <idno type="stamp" n="TEST-UGA">TEST-UGA</idno>
          </seriesStmt>
          <notesStmt>
            <note type="audience" n="2">International</note>
            <note type="popular" n="0">No</note>
            <note type="peer" n="1">Yes</note>
          </notesStmt>
          <sourceDesc>
            <biblStruct>
              <analytic>
                <title xml:lang="en">Crystal structure and phonon softening in Ca$_3$Ir$_4$Sn${13}$</title>
                <author role="crp">
                  <persName>
                    <forename type="first">D. G.</forename>
                    <surname>Mazzone</surname>
                  </persName>
                  <email type="md5">0dbfc3468f5ae7efbea9c5730474bf3a</email>
                  <email type="domain">psi.ch</email>
                  <idno type="idhal" notation="numeric">1029481</idno>
                  <idno type="halauthorid" notation="string">1328536-1029481</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">S.</forename>
                    <surname>Gerber</surname>
                  </persName>
                  <idno type="halauthorid">203185-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">J. L.</forename>
                    <surname>Gavilano</surname>
                  </persName>
                  <idno type="halauthorid">309051-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">R.</forename>
                    <surname>Sibille</surname>
                  </persName>
                  <email type="md5">8e5dd517be344eeb79c46334d31361e6</email>
                  <email type="domain">psi.ch</email>
                  <idno type="idhal" notation="numeric">1138111</idno>
                  <idno type="halauthorid" notation="string">287365-1138111</idno>
                  <idno type="IDREF">https://www.idref.fr/169320308</idno>
                  <idno type="ORCID">https://orcid.org/0000-0001-6360-7262</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/B-2104-2012</idno>
                  <idno type="VIAF">https://viaf.org/viaf/302221265</idno>
                  <idno type="RESEARCHERID">http://www.researcherid.com/rid/http://www.researcherid.com/rid/B-2104-2012</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">M.</forename>
                    <surname>Medarde</surname>
                  </persName>
                  <idno type="halauthorid">279963-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">B.</forename>
                    <surname>Delley</surname>
                  </persName>
                  <idno type="halauthorid">267950-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">M.</forename>
                    <surname>Ramakrishnan</surname>
                  </persName>
                  <idno type="halauthorid">1203354-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">M.</forename>
                    <surname>Neugebauer</surname>
                  </persName>
                  <idno type="halauthorid">1328144-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">Louis Pierre</forename>
                    <surname>Regnault</surname>
                  </persName>
                  <idno type="halauthorid">1246354-0</idno>
                  <affiliation ref="#struct-40365"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">D.</forename>
                    <surname>Chernyshov</surname>
                  </persName>
                  <idno type="halauthorid">232141-0</idno>
                  <affiliation ref="#struct-2568"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">A.</forename>
                    <surname>Piovano</surname>
                  </persName>
                  <idno type="halauthorid">1090724-0</idno>
                  <affiliation ref="#struct-2569"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">T. M.</forename>
                    <surname>Fernandez-Diaz</surname>
                  </persName>
                  <idno type="halauthorid">1328145-0</idno>
                  <affiliation ref="#struct-2569"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">L.</forename>
                    <surname>Keller</surname>
                  </persName>
                  <idno type="halauthorid">84312-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">A.</forename>
                    <surname>Cervellino</surname>
                  </persName>
                  <idno type="halauthorid">1328146-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">E.</forename>
                    <surname>Pomjakushina</surname>
                  </persName>
                  <idno type="halauthorid">698274-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">K.</forename>
                    <surname>Conder</surname>
                  </persName>
                  <idno type="halauthorid">340538-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
                <author role="aut">
                  <persName>
                    <forename type="first">M.</forename>
                    <surname>Kenzelmann</surname>
                  </persName>
                  <idno type="halauthorid">1302859-0</idno>
                  <affiliation ref="#struct-86596"/>
                </author>
              </analytic>
              <monogr>
                <idno type="halJournalId" status="OLD">17977</idno>
                <idno type="issn">1098-0121</idno>
                <idno type="eissn">1550-235X</idno>
                <title level="j">Physical Review B: Condensed Matter and Materials Physics (1998-2015)</title>
                <imprint>
                  <publisher>American Physical Society</publisher>
                  <biblScope unit="volume">92</biblScope>
                  <biblScope unit="pp">024101</biblScope>
                  <date type="datePub">2015</date>
                </imprint>
              </monogr>
              <idno type="arxiv">1503.08102</idno>
              <idno type="doi">10.1103/PhysRevB.92.024101</idno>
            </biblStruct>
          </sourceDesc>
          <profileDesc>
            <langUsage>
              <language ident="en">English</language>
            </langUsage>
            <textClass>
              <keywords scheme="author">
                <term xml:lang="en">Superconducting Properties</term>
                <term xml:lang="en"> Powder Diffraction</term>
                <term xml:lang="en"> Stannides</term>
              </keywords>
              <classCode scheme="classification">PACS number(s): 61.05.fg, 61.05.cp, 68.35.Rh, 74.70.−b</classCode>
              <classCode scheme="halDomain" n="phys">Physics [physics]</classCode>
              <classCode scheme="halTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halOldTypology" n="ART">Journal articles</classCode>
              <classCode scheme="halTreeTypology" n="ART">Journal articles</classCode>
            </textClass>
            <abstract xml:lang="en">
              <p>We investigated the crystal structure and lattice excitations of the ternary intermetallic stannide Ca$_3$Ir$_4$Sn${13}$ using neutron and x-ray scattering techniques. For $T$ &gt; $T*$ approximate to 38 K, the x-ray diffraction data can be satisfactorily refined using the space group Pm3n. Below T*, the crystal structure is modulated with a propagation vector of (q) over right arrow = (1/2,1/2,0). This may arise from a merohedral twinning in which three tetragonal domains overlap to mimic a higher symmetry, or from a doubling of the cubic unit cell. Neutron diffraction and neutron spectroscopy results show that the structural transition at $T*$ is of a second-order, and that it is well described by mean-field theory. Inelastic neutron scattering data point towards a displacive structural transition at T* arising from the softening of a low-energy phonon mode with an energy gap of Delta(120 K) = 1.05 meV. Using density functional theory, the soft phonon mode is identified as a "breathing" mode of the Sn$_{12}$ icosahedra and is consistent with the thermal ellipsoids of the Sn2 atoms found by single-crystal diffraction data.</p>
            </abstract>
          </profileDesc>
        </biblFull>
      </listBibl>
    </body>
    <back>
      <listOrg type="structures">
        <org type="laboratory" xml:id="struct-86596" status="VALID">
          <orgName>The Swiss Light Source (SLS)</orgName>
          <orgName type="acronym">SLS-PSI</orgName>
          <desc>
            <address>
              <addrLine>Paul Scherrer Institut 5232 Villigen PSI Suisse</addrLine>
              <country key="CH"/>
            </address>
          </desc>
          <listRelation>
            <relation active="#struct-1961" type="direct"/>
          </listRelation>
        </org>
        <org type="researchteam" xml:id="struct-40365" status="OLD">
          <idno type="IdRef">198231695</idno>
          <orgName>Magnétisme et Diffusion Neutronique</orgName>
          <orgName type="acronym">MDN</orgName>
          <date type="end">2019-12-31</date>
          <desc>
            <address>
              <addrLine>CEA17, rue des Martyrs F-38054 Grenoble Cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cea.fr/drf/irig/Pages/Laboratoires/MEM.aspx</ref>
          </desc>
          <listRelation>
            <relation name="DRF/IRIG/MEM" active="#struct-460264" type="direct"/>
            <relation active="#struct-445543" type="indirect"/>
            <relation name="DRF/IRIG/DEPHY" active="#struct-555292" type="indirect"/>
            <relation name="DRF/IRIG" active="#struct-465913" type="indirect"/>
            <relation active="#struct-300016" type="indirect"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-2568" status="OLD">
          <idno type="ROR">https://ror.org/02550n020</idno>
          <orgName>European Synchrotron Radiation Facility</orgName>
          <orgName type="acronym">ESRF</orgName>
          <date type="start">1988-01-01</date>
          <date type="end">2014-12-31</date>
          <desc>
            <address>
              <addrLine>6 rue Jules Horowitz BP220 38043 GRENOBLE CEDEX</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.esrf.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-2569" status="VALID">
          <idno type="IdRef">030076528</idno>
          <idno type="RNSR">197023325N</idno>
          <idno type="ROR">https://ror.org/01xtjs520</idno>
          <orgName>Institut Laue-Langevin</orgName>
          <orgName type="acronym">ILL</orgName>
          <date type="start">1967-01-01</date>
          <desc>
            <address>
              <addrLine>71 avenue des Martyrs, CS 20156, 38042 GRENOBLE Cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.ill.fr/</ref>
          </desc>
        </org>
        <org type="institution" xml:id="struct-1961" status="VALID">
          <idno type="ROR">https://ror.org/03eh3y714</idno>
          <orgName>Paul Scherrer Institute</orgName>
          <orgName type="acronym">PSI</orgName>
          <desc>
            <address>
              <addrLine>Villigen PSI, CH5232 Villigen, Suisse</addrLine>
              <country key="CH"/>
            </address>
            <ref type="url">http://www.psi.ch/</ref>
          </desc>
        </org>
        <org type="department" xml:id="struct-460264" status="OLD">
          <idno type="IdRef">221420827</idno>
          <idno type="RNSR">200717446M</idno>
          <orgName>Modélisation et Exploration des Matériaux</orgName>
          <orgName type="acronym">MEM</orgName>
          <date type="start">2016-01-01</date>
          <date type="end">2019-12-31</date>
          <desc>
            <address>
              <addrLine>CEA17 rue des MartyrsF-38054 Grenoble Cedex 9</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cea.fr/drf/irig/Pages/Laboratoires/MEM.aspx</ref>
          </desc>
          <listRelation>
            <relation active="#struct-445543" type="direct"/>
            <relation name="DRF/IRIG/DEPHY" active="#struct-555292" type="direct"/>
            <relation name="DRF/IRIG" active="#struct-465913" type="indirect"/>
            <relation active="#struct-300016" type="indirect"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-445543" status="OLD">
          <idno type="IdRef">188399275</idno>
          <idno type="ROR">https://ror.org/02rx3b187</idno>
          <orgName>Université Grenoble Alpes [2016-2019]</orgName>
          <orgName type="acronym">UGA [2016-2019]</orgName>
          <date type="start">2016-01-01</date>
          <date type="end">2019-12-31</date>
          <desc>
            <address>
              <addrLine>38058 Grenoble cedex</addrLine>
              <country key="FR"/>
            </address>
          </desc>
        </org>
        <org type="laboratory" xml:id="struct-555292" status="VALID">
          <idno type="IdRef">240648846</idno>
          <idno type="RNSR">201923169F</idno>
          <idno type="ROR">https://ror.org/00byxdz40</idno>
          <idno type="Wikidata">Q108737333</idno>
          <orgName>Institut de Recherche Interdisciplinaire de Grenoble</orgName>
          <orgName type="acronym">IRIG</orgName>
          <date type="start">2019-01-01</date>
          <desc>
            <address>
              <country key="FR"/>
            </address>
            <ref type="url">https://hal-cea.archives-ouvertes.fr/IRIG/</ref>
          </desc>
          <listRelation>
            <relation name="DRF/IRIG" active="#struct-465913" type="direct"/>
            <relation active="#struct-300016" type="indirect"/>
          </listRelation>
        </org>
        <org type="regrouplaboratory" xml:id="struct-465913" status="VALID">
          <idno type="IdRef">251118436</idno>
          <idno type="RNSR">201622496M</idno>
          <idno type="ROR">https://ror.org/01yvj5k91</idno>
          <idno type="Wikidata">Q52604525</idno>
          <orgName>Direction de Recherche Fondamentale (CEA)</orgName>
          <orgName type="acronym">DRF (CEA)</orgName>
          <date type="start">2016-01-01</date>
          <desc>
            <address>
              <addrLine>Direction de Recherche FondamentaleFundamental Research DivisionCEA Saclay91191 Gif-sur-Yvette</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://ceasciences.fr/</ref>
          </desc>
          <listRelation>
            <relation active="#struct-300016" type="direct"/>
          </listRelation>
        </org>
        <org type="institution" xml:id="struct-300016" status="VALID">
          <idno type="IdRef">026372061</idno>
          <idno type="ISNI">0000000122998025</idno>
          <idno type="ROR">https://ror.org/00jjx8s55</idno>
          <idno type="Wikidata">Q868550</idno>
          <orgName>Commissariat à l'énergie atomique et aux énergies alternatives</orgName>
          <orgName type="acronym">CEA</orgName>
          <desc>
            <address>
              <addrLine>Centre de SaclayCentre de GrenobleCentre de Cadaracheetc</addrLine>
              <country key="FR"/>
            </address>
            <ref type="url">http://www.cea.fr/</ref>
          </desc>
        </org>
      </listOrg>
    </back>
  </text>
</TEI>