Anisotropic antiferromagnetic order in the spin-orbit coupled trigonal-lattice Ca2Sr2IrO6

Sheng, Jieming; Ye, Feng; Hoffmann, Christina; Cooper, Valentino R.; Okamoto, Satoshi; Terzic, Jasminka; Zheng, Hao; Zhao, Hengdi; Cao, Gang

doi:10.1103/PhysRevB.97.235116

Title: Anisotropic antiferromagnetic order in the spin-orbit coupled trigonal-lattice ${Ca}_{2} {Sr}_{2} {IrO}_{6}$

Journal Article · 11 June 2018 · Physical Review B

DOI: https://doi.org/10.1103/PhysRevB.97.235116 · OSTI ID:1465040

Sheng, Jieming ^[1];

^[2];

^[2]; Terzic, Jasminka ^[3]; Zheng, Hao ^[4]; Zhao, Hengdi ^[4]; Cao, Gang ^[4]

Renmin Univ. of China, Beijing (China); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Univ. of Colorado, Boulder, CO (United States); National High Magnetic Field Lab., Tallahassee, FL (United States)
Univ. of Colorado, Boulder, CO (United States)

Here, we used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca₂Sr₂IrO₆. The crystal structure is determined to be R¯3 with two distinct Ir sites. The system exhibits long-range antiferromagnetic order below T_N = 13.1 K. The magnetic wave vector is identified as (0,0.5,1) with ferromagnetic coupling along the a axis and antiferromagnetic correlation along the b axis. Spins align dominantly within the basal plane along the [1,2,0] direction and tilt 34° toward the c axis. The ordered moment is 0.66(3) μ_B/Ir, larger than other iridates where iridium ions form corner- or edge-sharing IrO₆ octahedral networks. The tilting angle is reduced to ≈19° when a magnetic field of 4.9 T is applied along the c axis. Density functional theory calculations confirm that the experimentally determined magnetic configuration is the most probable ground state with an insulating gap ~0.5 eV.

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

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

Grant/Contract Number:: AC05-00OR22725; AC02-05CH11231

OSTI ID:: 1465040

Alternate ID(s):: OSTI ID: 1441124

Journal Information:: Physical Review B, Vol. 97, Issue 23; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 3 works

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