Screw-Type Motion and Its Impact on Cooperativity in BaNa2Fe[VO4]2

Publikationstyp:
Zeitschriftenaufsatz
Metadaten:
Autoren
  • Anna Reuss
  • Vadim Ksenofontov
  • Joshua Tapp
  • Dirk Wulferding
  • Peter Lemmens
  • Martin Panthoefer
  • Angela Moeller
Autoren-URL
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=fis-test-1&SrcAuth=WosAPI&KeyUT=WOS:000434491700016&DestLinkType=FullRecord&DestApp=WOS_CPL
DOI
10.1021/acs.inorgchem.8b00191
eISSN
1520-510X
Externe Identifier
  • Clarivate Analytics Document Solution ID: GI6PE
  • PubMed Identifier: 29767968
ISSN
0020-1669
Ausgabe der Veröffentlichung
11
Zeitschrift
INORGANIC CHEMISTRY
Paginierung
6300 - 6308
Datum der Veröffentlichung
2018
Status
Published
Titel
Screw-Type Motion and Its Impact on Cooperativity in BaNa<sub>2</sub>Fe[VO<sub>4</sub>]<sub>2</sub>
Sub types
  • Article
Ausgabe der Zeitschrift
57

Datenquelle: Web of Science (Lite)

Andere Metadatenquellen:
Autoren
  • Anna Reuß
  • Vadim Ksenofontov
  • Joshua Tapp
  • Dirk Wulferding
  • Peter Lemmens
  • Martin Panthöfer
  • Angela Möller
DOI
10.1021/acs.inorgchem.8b00191
eISSN
1520-510X
ISSN
0020-1669
Ausgabe der Veröffentlichung
11
Zeitschrift
Inorganic Chemistry
Sprache
en
Online publication date
2018
Paginierung
6300 - 6308
Datum der Veröffentlichung
2018
Status
Published
Herausgeber
American Chemical Society (ACS)
Herausgeber URL
http://dx.doi.org/10.1021/acs.inorgchem.8b00191
Datum der Datenerfassung
2023
Titel
<i>Screw</i>-<i>Type</i> Motion and Its Impact on Cooperativity in BaNa<sub>2</sub>Fe[VO<sub>4</sub>]<sub>2</sub>
Ausgabe der Zeitschrift
57

Datenquelle: Crossref

Abstract
BaNa<sub>2</sub>Fe[VO<sub>4</sub>]<sub>2</sub> contains a Jahn-Teller active ion (Fe<sup>II</sup>, 3d<sup>6</sup>, high-spin) in an octahedral coordination. On the basis of a combination of temperature-dependent X-ray diffraction and Mössbauer and Raman spectroscopies, we demonstrate the coupling of lattice dynamics with the electronic ground state of Fe<sup>II</sup>. We identify three lattice modes combined to an effective canted screw- type motion that drives the structural transition around room temperature from the high-temperature ( P3̅) via intermediate phases to the low-temperature phase ( C2/ c). The dynamics of the electronic ground state of Fe(II) are evident from Mössbauer data with signatures of a motion-narrowed doublet above 320 K, a gradual evolution of the <sup>5</sup>E<sub>g</sub> electronic state below 293 K, and finally the signature of the thermodynamically preferred orbitally nondegenerate ground state (<sup>5</sup>A<sub>g</sub>) of Fe(II) below 100 K. The continuous nature of the transition is associated with the temperature-dependent phonon parameters derived from Raman spectroscopy, which point out the presence of strong electron-phonon coupling in this compound. We present a microscopic mechanism and evaluate the collective component leading to the structural phase transition.
Addresses
  • Institute for Inorganic Chemistry and Analytical Chemistry , JGU Mainz , Duesbergweg 10-14 , 55128 Mainz , Germany.
Autoren
  • Anna Reuß
  • Vadim Ksenofontov
  • Joshua Tapp
  • Dirk Wulferding
  • Peter Lemmens
  • Martin Panthöfer
  • Angela Möller
DOI
10.1021/acs.inorgchem.8b00191
eISSN
1520-510X
Externe Identifier
  • PubMed Identifier: 29767968
Funding acknowledgements
  • Braunschweig International Graduate School of Metrology, Technische Universit?t Braunschweig:
  • Carl-Zeiss-Stiftung:
  • Deutsche Forschungsgemeinschaft: GrK1952/1
  • Deutsche Forschungsgemeinschaft: INST 247/875-1
  • Deutsche Forschungsgemeinschaft: LE967/16-1
  • NTH-School Contacts in Nanosystems, Leibniz Universit?t:
Open access
false
ISSN
0020-1669
Ausgabe der Veröffentlichung
11
Zeitschrift
Inorganic chemistry
Sprache
eng
Medium
Print-Electronic
Online publication date
2018
Paginierung
6300 - 6308
Datum der Veröffentlichung
2018
Status
Published
Datum der Datenerfassung
2018
Titel
Screw- Type Motion and Its Impact on Cooperativity in BaNa<sub>2</sub>Fe[VO<sub>4</sub>]<sub>2</sub>.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
57

Datenquelle: Europe PubMed Central

Abstract
BaNa2Fe[VO4]2 contains a Jahn-Teller active ion (FeII, 3d6, high-spin) in an octahedral coordination. On the basis of a combination of temperature-dependent X-ray diffraction and Mössbauer and Raman spectroscopies, we demonstrate the coupling of lattice dynamics with the electronic ground state of FeII. We identify three lattice modes combined to an effective canted screw- type motion that drives the structural transition around room temperature from the high-temperature ( P3̅) via intermediate phases to the low-temperature phase ( C2/ c). The dynamics of the electronic ground state of Fe(II) are evident from Mössbauer data with signatures of a motion-narrowed doublet above 320 K, a gradual evolution of the 5Eg electronic state below 293 K, and finally the signature of the thermodynamically preferred orbitally nondegenerate ground state (5Ag) of Fe(II) below 100 K. The continuous nature of the transition is associated with the temperature-dependent phonon parameters derived from Raman spectroscopy, which point out the presence of strong electron-phonon coupling in this compound. We present a microscopic mechanism and evaluate the collective component leading to the structural phase transition.
Autoren
  • Anna Reuß
  • Vadim Ksenofontov
  • Joshua Tapp
  • Dirk Wulferding
  • Peter Lemmens
  • Martin Panthöfer
  • Angela Möller
Autoren-URL
https://www.ncbi.nlm.nih.gov/pubmed/29767968
DOI
10.1021/acs.inorgchem.8b00191
eISSN
1520-510X
Ausgabe der Veröffentlichung
11
Zeitschrift
Inorg Chem
Sprache
eng
Country
United States
Paginierung
6300 - 6308
Datum der Veröffentlichung
2018
Status
Published
Datum, an dem der Datensatz öffentlich gemacht wurde
2018
Titel
Screw- Type Motion and Its Impact on Cooperativity in BaNa2Fe[VO4]2.
Sub types
  • Journal Article
Ausgabe der Zeitschrift
57

Datenquelle: PubMed

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