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Title: Nature of the structural symmetries associated with hybrid improper ferroelectricity in C a 3 X 2 O 7 ( X = Mn and Ti )

Abstract

In hybrid improper ferroelectric systems, polarization arises from the onset of successive nonpolar lattice modes. In this work, measurements and modeling were performed to determine the spatial symmetries of the phases involved in the transitions to these modes. Structural and optical measurements reveal that the tilt and rotation distortions of the MnO6 or TiO6 polyhedra relative to the high symmetry phases driving ferroelectricity in the hybrid improper Ca3X2O7 system (X = Mn and Ti) condense at different temperatures. The tilt angle vanishes abruptly at T-T similar to 400 K for Ca3Mn2O7 (and continuously for X = Ti) and the rotation mode amplitude is suppressed at much higher temperatures T-R similar to 1060 K. Moreover, Raman measurements in Ca3Mn2O7 under isotropic pressure reveal that the polyhedral tilts can be suppressed by very low pressures (between 1.4 and 2.3 GPa) indicating their softness. These results indicate that the Ca3Mn2O7 system provides a platform for strain engineering of ferroelectric properties in film-based systems with substrate-induced strain.

Authors:
 [1];  [1];  [2];  [3];  [4];  [5];  [5];  [6];  [6];  [6];  [7]
+ Show Author Affiliations
  1. New Jersey Inst. of Technology, Newark, NJ (United States)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Argonne National Lab. (ANL), Argonne, IL (United States)
  4. Univ. of Illinois, Chicago, IL (United States)
  5. UChicago, LLC., Argonne, IL (United States)
  6. Rutgers Univ., Piscataway, NJ (United States)
  7. New Jersey Inst. of Technology, Newark, NJ (United States); Rutgers Univ., Piscataway, NJ (United States)
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL), Upton, NY (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES); National Science Foundation (NSF)
OSTI Identifier:
1550794
Alternate Identifier(s):
OSTI ID: 1546312; OSTI ID: 1560054
Report Number(s):
BNL-211931-2019-JAAM
Journal ID: ISSN 2469-9950; PRBMDO
Grant/Contract Number:  
SC0012704; GF02-07ER46382; AC02-05CH11231; AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 99; Journal Issue: 22; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Liu, S., Zhang, H., Ghose, S., Balasubramanian, M., Liu, Zhenxian, Wang, S. G., Chen, Y. -S., Gao, B., Kim, Jaewook, Cheong, S. -W., and Tyson, T. A. Nature of the structural symmetries associated with hybrid improper ferroelectricity in Ca3X2O7(X=Mnand Ti). United States: N. p., 2019. Web. doi:10.1103/PhysRevB.99.224105.
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Liu, S., Zhang, H., Ghose, S., Balasubramanian, M., Liu, Zhenxian, Wang, S. G., Chen, Y. -S., Gao, B., Kim, Jaewook, Cheong, S. -W., & Tyson, T. A. Nature of the structural symmetries associated with hybrid improper ferroelectricity in Ca3X2O7(X=Mnand Ti). United States. https://doi.org/10.1103/PhysRevB.99.224105
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Liu, S., Zhang, H., Ghose, S., Balasubramanian, M., Liu, Zhenxian, Wang, S. G., Chen, Y. -S., Gao, B., Kim, Jaewook, Cheong, S. -W., and Tyson, T. A. Thu . "Nature of the structural symmetries associated with hybrid improper ferroelectricity in Ca3X2O7(X=Mnand Ti)". United States. https://doi.org/10.1103/PhysRevB.99.224105. https://www.osti.gov/servlets/purl/1550794.
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@article{osti_1550794,
title = {Nature of the structural symmetries associated with hybrid improper ferroelectricity in Ca3X2O7(X=Mnand Ti)},
author = {Liu, S. and Zhang, H. and Ghose, S. and Balasubramanian, M. and Liu, Zhenxian and Wang, S. G. and Chen, Y. -S. and Gao, B. and Kim, Jaewook and Cheong, S. -W. and Tyson, T. A.},
abstractNote = {In hybrid improper ferroelectric systems, polarization arises from the onset of successive nonpolar lattice modes. In this work, measurements and modeling were performed to determine the spatial symmetries of the phases involved in the transitions to these modes. Structural and optical measurements reveal that the tilt and rotation distortions of the MnO6 or TiO6 polyhedra relative to the high symmetry phases driving ferroelectricity in the hybrid improper Ca3X2O7 system (X = Mn and Ti) condense at different temperatures. The tilt angle vanishes abruptly at T-T similar to 400 K for Ca3Mn2O7 (and continuously for X = Ti) and the rotation mode amplitude is suppressed at much higher temperatures T-R similar to 1060 K. Moreover, Raman measurements in Ca3Mn2O7 under isotropic pressure reveal that the polyhedral tilts can be suppressed by very low pressures (between 1.4 and 2.3 GPa) indicating their softness. These results indicate that the Ca3Mn2O7 system provides a platform for strain engineering of ferroelectric properties in film-based systems with substrate-induced strain.},
doi = {10.1103/PhysRevB.99.224105},
journal = {Physical Review B},
number = 22,
volume = 99,
place = {United States},
year = {Thu Jun 27 00:00:00 EDT 2019},
month = {Thu Jun 27 00:00:00 EDT 2019}
}
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Journal Article:
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https://doi.org/10.1103/PhysRevB.99.224105
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Cited by: 10 works
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Figures / Tables:

Table I Table I: Ca3Mn2O7 Self-Force Constants*
All figures and tables (42 total)
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    Works referencing / citing this record:

    Interplay of spin, lattice, vibration, and charge degrees of freedom: Magneto‐dielectricity in Ca 3 Mn 2 O 7
    journal, January 2020

    • Sahlot, Pooja; Sharma, Gaurav; Sathe, Vasant
    • Journal of the American Ceramic Society, Vol. 103, Issue 5
    • DOI: 10.1111/jace.17013
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      Figures / Tables found in this record:

      Table I (p. 17)table
      Fig. 1 (p. 20)figure
      Fig. 2 (p. 21)figure
      Fig. 3 (p. 22)figure
      Fig. 4 (p. 23)figure
      Fig. 5 (p. 24)figure
      Fig. 6 (p. 25)figure
      Fig. 7 (p. 26)figure
      Fig. 8 (p. 27)figure
      Fig. S1 (p. 37)figure
      Table S1 (p. 38)table
      Fig. S2 (p. 39)figure
      Fig. S3 (p. 40)figure
      Fig. S4 (p. 41)figure
      Fig. S5 (p. 42)figure
      Fig. S6 (p. 43)figure
      Fig. S7 (p. 44)figure
      Fig. S8 (p. 45)figure
      Fig. S9 (p. 46)figure
      Fig. S10 (p. 47)figure
      Fig. S11 (p. 48)figure
      Fig. S12 (p. 49)figure
      Fig. S13 (p. 49)figure
      Table S2 (p. 50)table
      Fig. S14 (p. 51)figure
      Fig. S15 (p. 52)figure
      Fig. S16 (p. 53)figure
      Fig. S17 (p. 54)figure
      Fig. S18 (p. 55)figure
      Fig. S19 (p. 56)figure
      Table S3 (p. 57)table
      Table S4 (p. 58)table
      Table S5 (p. 59)table
      Fig. S20 (p. 60)figure
      Table S6 (p. 61)table
      Table S7 (p. 62)table
      Fig. 21 (p. 63)figure
      Table S8 (p. 64)table
      Table S10 (p. 65)table
      Table S9 (p. 65)table
      Table S11 (p. 66)table
      Fig. S22 (p. 67)figure
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