Structural investigation of the bilayer iridate Sr_3Ir_2O_7
Abstract
A complete structural solution of the bilayer iridate compound Sr_3Ir_2O_7 presently remains outstanding. Previously reported structures for this compound vary and all fail to explain weak structural violations observed in neutron scattering measurements as well as the presence of a net ferromagnetic moment in the basal plane. In this paper, we present single crystal neutron diffraction and rotational anisotropy second harmonic generation measurements unveiling a lower, monoclinic symmetry inherent to Sr_3Ir_2O_7. Combined with density functional theory, our measurements identify the correct structural space group as No. 15 (C2/c) and provide clarity regarding the local symmetry of Ir^(4+) cations within this spin-orbit Mott material.
Additional Information
© 2016 American Physical Society. Received 29 February 2016; revised manuscript received 1 April 2016; published 19 April 2016. This work was supported in part by NSF Award No. DMR-1505549 (S.D.W.), as well as by the MRSEC Program of the National Science Foundation under Award No. DMR 1121053 (T.H., L.B., C.VdW.). Work at Caltech (L.Z., D.H.) was supported by ARO Grant No. W911NF-13-1-0059. Instrumentation for the SHG measurements was partially supported by ARO DURIP Award W911NF-13-1-0293 and by the Institute for Quantum Information and Matter, an NSF Physics Frontiers Center (PHY-1125565) with support of the Gordon and Betty Moore Foundation through Grant GBMF1250. C.B. acknowledges support from the Caltech WAVE Fellows program. Work performed at the ORNL Spallation Neutron Source TOPAZ single-crystal diffractometer was supported by the Scientific User Facilities Division, Office of Basic Energy Sciences, US Department of Energy, under Contract No. DE-AC05-00OR22725 with UT-Battelle, LLC.Attached Files
Published - PhysRevB.93.134110.pdf
Submitted - 1603.07390v1.pdf
Supplemental Material - c2c_100K_sr3ir2o7.cif
Supplemental Material - c2c_300K_s3ir2o7.cif
Files
Additional details
- Alternative title
- Structural investigation of the bilayer iridate Sr3Ir2O7
- Eprint ID
- 67362
- Resolver ID
- CaltechAUTHORS:20160525-143627761
- DMR-1505549
- NSF
- DMR-1121053
- NSF
- W911NF-13-1-0059
- Army Research Office (ARO)
- W911NF-13-1-0293
- Army Research Office (ARO)
- Institute for Quantum Information and Matter (IQIM)
- NSF Physics Frontiers Center
- PHY-1125565
- NSF
- GBMF1250
- Gordon and Betty Moore Foundation
- Caltech WAVE Fellows Program
- DE-AC05-00OR22725
- Department of Energy (DOE)
- Created
-
2016-05-26Created from EPrint's datestamp field
- Updated
-
2021-11-11Created from EPrint's last_modified field
- Caltech groups
- Institute for Quantum Information and Matter