Journal Article PUBDB-2023-03136

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Picometer atomic displacements behind ferroelectricity in the commensurate low-temperature phase in multiferroic YMn$_2$O$_5$

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2024
Inst. Woodbury, NY

Physical review / B 109(5), 054101 () [10.1103/PhysRevB.109.054101]
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Abstract: Multiferroics are rare materials that exhibit an interaction of ferroelectricity and magnetism. One such multiferroic material is the Mn-based mullite YMn$_2$O$_5$. YMn$_2$O$_5$ undergoes several low-temperature phases, and the origin of ferroelectricity in the commensurate phase remains open. Changes in the Mn spin configuration are believed to be the main driving force, which can be induced by magnetostriction caused by symmetric exchange, the antisymmetric inverse Dzyaloshinskii-Moriya interaction, or a combination of both. These mechanisms are accompanied by specific displacements of ions in the structure. The space group Pbam(55) of the paraelectric phase does not allow polar displacements. Moreover, conventional structure analysis has been unsuccessful in refining the charge structure in a lower symmetric phase due to its limited sensitivity in resolving the expected positional displacements. To shed light on this controversial discussion, our goal was to resolve potential ionic displacements within a polar space group by employing the new resonantly suppressed diffraction method, which is highly sensitive to minuscule structural changes in the (sub)picometer range. In this paper, we present the first refined structure model of the commensurate phase in YMn$_2$O$_5$ using the lower symmetric space group Pb2$_1$m, allowing polarization in the b direction. We observed a significant displacement of the Mn ions and the partial structure of oxygen, resulting in a calculated spontaneous polarization P$_S$=(1.3±0.4)mCm$^{−2}$, which is in good agreement with our measured value P$_S$=(0.88±0.06)mCm$^{−2}$. Importantly, we confirm that PS predominantly arises from an ionic contribution induced by magnetostriction. These results hold great interest not only for all multiferroic Mn-based mullites, but also for other multiferroic materials where ferroelectricity arises from their magnetic order. Furthermore, a precise understanding of the ionic movement induced by magnetism will aid in the material tuning process to enhance or create multiferroic properties.

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Contributing Institute(s):
  1. DOOR-User (DOOR ; HAS-User)
  2. PETRA-D (FS-PETRA-D)
  3. Informationstechnologie (IT)
  4. Experimentebetreuung PETRA III (FS-PET-D)
Research Program(s):
  1. 631 - Matter – Dynamics, Mechanisms and Control (POF4-631) (POF4-631)
  2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)
  3. DFG project 324641898 - Resonante Röntgendiffraktion unter optimierter destruktiver Interferenz zur hochsensitiven Bestimmung phasenaufgelöster lagespezifischer Atomverrückungen in kristallinen Materialien (324641898) (324641898)
  4. DFG project 409743569 - Kontrollierte Einstellung der Atomstruktur in Funktionsmaterialien durch akustische Wellen und elektrische Felder (409743569) (409743569)
  5. DFG project 397252409 - Compute Cluster zur Zentralisierung der Rechenbedarfe (397252409) (397252409)
  6. EURIZON - European network for developing new horizons for RIs (871072) (871072)
Experiment(s):
  1. PETRA Beamline P23 (PETRA III)

Appears in the scientific report 2024
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 Record created 2023-05-11, last modified 2025-07-15