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Title: Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca 3 Mn 1.9 Ti 0.1 O 7

Abstract

Here, we report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7 (CMTO), a prototypical system where the electric polarization arises from the condensation of two lattice distortion modes. With increasing temperature (T), the out-of-plane, antiphase tilt of MnO6 decreases in amplitude while the in-plane, in-phase rotation remains robust and experiences abrupt changes across the first-order structural transition. Application of hydrostatic pressure (P) to CMTO at room temperature shows a similar effect. The consistent behavior under both T and P reveals the softness of antiphase tilt and highlights the role of the partially occupied d orbital of the transition-metal ions in determining the stability of the octahedral distortion. Polarized neutron analysis indicates the symmetry-allowed canted ferromagnetic moment is less than the 0.04μB/Mn site, despite a substantial out-of-plane tilt of the MnO6 octahedra.

Authors:
ORCiD logo [1];  [2];  [2]; ORCiD logo [1];  [3];  [3]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [4];  [4];  [4]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Renmin Univ. of China, Beijing (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  3. Fudan Univ., Shanghai (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing (China)
  4. Rutgers Univ., Piscataway, NJ (United States)
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1465064
Alternate Identifier(s):
OSTI ID: 1417519
Grant/Contract Number:  
AC05-00OR22725; FG02-07ER46382
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 97; Journal Issue: 4; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY

Citation Formats

Ye, Feng, Wang, Jinchen, Sheng, Jieming, Hoffmann, Christina, Gu, T., Xiang, H. J., Tian, Wei, Molaison, Jamie J., dos Santos, Antonio F. Moreira, Matsuda, Masaaki, Chakoumakos, Bryan C., Fernandez-Baca, Jaime A., Tong, Xin Tony, Gao, Bin, Kim, Jae Wook, and Cheong, Sang -Wook. Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.97.041112.
Ye, Feng, Wang, Jinchen, Sheng, Jieming, Hoffmann, Christina, Gu, T., Xiang, H. J., Tian, Wei, Molaison, Jamie J., dos Santos, Antonio F. Moreira, Matsuda, Masaaki, Chakoumakos, Bryan C., Fernandez-Baca, Jaime A., Tong, Xin Tony, Gao, Bin, Kim, Jae Wook, & Cheong, Sang -Wook. Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7. United States. doi:10.1103/PhysRevB.97.041112.
Ye, Feng, Wang, Jinchen, Sheng, Jieming, Hoffmann, Christina, Gu, T., Xiang, H. J., Tian, Wei, Molaison, Jamie J., dos Santos, Antonio F. Moreira, Matsuda, Masaaki, Chakoumakos, Bryan C., Fernandez-Baca, Jaime A., Tong, Xin Tony, Gao, Bin, Kim, Jae Wook, and Cheong, Sang -Wook. Fri . "Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7". United States. doi:10.1103/PhysRevB.97.041112. https://www.osti.gov/servlets/purl/1465064.
@article{osti_1465064,
title = {Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7},
author = {Ye, Feng and Wang, Jinchen and Sheng, Jieming and Hoffmann, Christina and Gu, T. and Xiang, H. J. and Tian, Wei and Molaison, Jamie J. and dos Santos, Antonio F. Moreira and Matsuda, Masaaki and Chakoumakos, Bryan C. and Fernandez-Baca, Jaime A. and Tong, Xin Tony and Gao, Bin and Kim, Jae Wook and Cheong, Sang -Wook},
abstractNote = {Here, we report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7 (CMTO), a prototypical system where the electric polarization arises from the condensation of two lattice distortion modes. With increasing temperature (T), the out-of-plane, antiphase tilt of MnO6 decreases in amplitude while the in-plane, in-phase rotation remains robust and experiences abrupt changes across the first-order structural transition. Application of hydrostatic pressure (P) to CMTO at room temperature shows a similar effect. The consistent behavior under both T and P reveals the softness of antiphase tilt and highlights the role of the partially occupied d orbital of the transition-metal ions in determining the stability of the octahedral distortion. Polarized neutron analysis indicates the symmetry-allowed canted ferromagnetic moment is less than the 0.04μB/Mn site, despite a substantial out-of-plane tilt of the MnO6 octahedra.},
doi = {10.1103/PhysRevB.97.041112},
journal = {Physical Review B},
number = 4,
volume = 97,
place = {United States},
year = {2018},
month = {1}
}

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Figures / Tables:

Figure 1 Figure 1: Crystal structure of Ca3Mn1.9Ti0.1O7 in (a) the lowT A21am and (b) high-T Abaa phases. The structures are drawn using VESTA software [19]. The diffraction images in the (h,k,0) scattering plane at (c) 100 K and (d) 450 K. Images in the (h,0,l) plane at (e) 100 K andmore » (f) 450 K.« less

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    Works referencing / citing this record:

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