Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca3Mn1.9Ti0.1O7

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

doi:10.1103/PhysRevB.97.041112

Title: Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic ${Ca}_{3} {Mn}_{1.9} {Ti}_{0.1} O_{7}$

Journal Article · Fri Jan 19 00:00:00 EST 2018 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.97.041112· OSTI ID:1465064

^[1]; Wang, Jinchen ^[2]; Sheng, Jieming ^[2];

^[1]; Gu, T. ^[3]; Xiang, H. J. ^[3];

^[1];

^[1]; Gao, Bin ^[4]; Kim, Jae Wook ^[4]; Cheong, Sang -Wook ^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Renmin Univ. of China, Beijing (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Fudan Univ., Shanghai (China); Collaborative Innovation Center of Advanced Microstructures, Nanjing (China)
Rutgers Univ., Piscataway, NJ (United States)

Here, we report a single crystal neutron and x-ray diffraction study of the hybrid improper multiferroic Ca₃Mn_1.9Ti_0.1O₇ (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 0.04μ_B/Mn site, despite a substantial out-of-plane tilt of the MnO₆ octahedra.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725; FG02-07ER46382

OSTI ID:: 1465064

Alternate ID(s):: OSTI ID: 1417519

Journal Information:: Physical Review B, Vol. 97, Issue 4; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 20 works

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