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Title: Magnetism out of antisite disorder in the J = 0 compound Ba 2 YIrO 6

Here, we systematically investigate the magnetic properties and local structure of Ba 2YIrO 6 to demonstrate that Y and Ir lattice defects in the form of antiphase boundary or clusters of antisite disorder affect the magnetism observed in this 5d 4 compound. The experimental investigation involved comparison of the magnetic properties and atomic imaging of (1) a slow-cooled crystal, (2) a crystal quenched from 900°C after growth, and (3) a crystal grown using a faster cooling rate during growth than the slow-cooled one. Atomic-scale imaging by scanning transmission electron microscopy (STEM) shows that quenching from 900°C introduces Ir-rich antiphase boundaries in the crystals, and a faster cooling rate during crystal growth leads to clusters of Y and Ir antisite disorder. Compared to the slow-cooled crystals, Ba 2YIrO 6 crystals with clusters of antisite defects have a larger effective moment and a larger saturation moment, while quenched crystals with Ir-rich antiphase boundary show a slightly suppressed moment. Our DFT and model magnetic Hamiltonian calculations suggest magnetic condensation is unlikely, as the energy to be gained from superexchange is small compared to the spin-orbit gap. However, once Y is replaced by Ir in the antisite disordered region, the picture of local nonmagneticmore » singlets breaks down and magnetism can be induced. This is because of (a) enhanced interactions due to increased orbital overlap and (b) increased number of orbitals mediating the interactions. Our work highlights the importance of lattice defects in understanding the experimentally observed magnetism in Ba 2YIrO 6 and other J = 0 systems.« less
Authors:
 [1] ;  [2] ; ORCiD logo [3] ; ORCiD logo [3] ;  [4] ;  [1] ;  [5] ;  [2] ;  [2] ;  [2] ; ORCiD logo [3]
  1. Univ. of Tennessee, Knoxville, TN (United States)
  2. The Ohio State Univ., Columbus, OH (United States)
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
  5. Univ. of Texas at Austin, Austin, TX (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 96; Journal Issue: 14; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
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)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1399964
Alternate Identifier(s):
OSTI ID: 1400010

Chen, Qiang, Svoboda, Chris, Zheng, Qiang, Sales, Brian C., Mandrus, David G., Zhou, H. D., Zhou, J. -S., McComb, David W., Randeria, Mohit, Trivedi, Nandini, and Yan, J. -Q.. Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6. United States: N. p., Web. doi:10.1103/PhysRevB.96.144423.
Chen, Qiang, Svoboda, Chris, Zheng, Qiang, Sales, Brian C., Mandrus, David G., Zhou, H. D., Zhou, J. -S., McComb, David W., Randeria, Mohit, Trivedi, Nandini, & Yan, J. -Q.. Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6. United States. doi:10.1103/PhysRevB.96.144423.
Chen, Qiang, Svoboda, Chris, Zheng, Qiang, Sales, Brian C., Mandrus, David G., Zhou, H. D., Zhou, J. -S., McComb, David W., Randeria, Mohit, Trivedi, Nandini, and Yan, J. -Q.. 2017. "Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6". United States. doi:10.1103/PhysRevB.96.144423. https://www.osti.gov/servlets/purl/1399964.
@article{osti_1399964,
title = {Magnetism out of antisite disorder in the J=0 compound Ba2YIrO6},
author = {Chen, Qiang and Svoboda, Chris and Zheng, Qiang and Sales, Brian C. and Mandrus, David G. and Zhou, H. D. and Zhou, J. -S. and McComb, David W. and Randeria, Mohit and Trivedi, Nandini and Yan, J. -Q.},
abstractNote = {Here, we systematically investigate the magnetic properties and local structure of Ba2YIrO6 to demonstrate that Y and Ir lattice defects in the form of antiphase boundary or clusters of antisite disorder affect the magnetism observed in this 5d4 compound. The experimental investigation involved comparison of the magnetic properties and atomic imaging of (1) a slow-cooled crystal, (2) a crystal quenched from 900°C after growth, and (3) a crystal grown using a faster cooling rate during growth than the slow-cooled one. Atomic-scale imaging by scanning transmission electron microscopy (STEM) shows that quenching from 900°C introduces Ir-rich antiphase boundaries in the crystals, and a faster cooling rate during crystal growth leads to clusters of Y and Ir antisite disorder. Compared to the slow-cooled crystals, Ba2YIrO6 crystals with clusters of antisite defects have a larger effective moment and a larger saturation moment, while quenched crystals with Ir-rich antiphase boundary show a slightly suppressed moment. Our DFT and model magnetic Hamiltonian calculations suggest magnetic condensation is unlikely, as the energy to be gained from superexchange is small compared to the spin-orbit gap. However, once Y is replaced by Ir in the antisite disordered region, the picture of local nonmagnetic singlets breaks down and magnetism can be induced. This is because of (a) enhanced interactions due to increased orbital overlap and (b) increased number of orbitals mediating the interactions. Our work highlights the importance of lattice defects in understanding the experimentally observed magnetism in Ba2YIrO6 and other J = 0 systems.},
doi = {10.1103/PhysRevB.96.144423},
journal = {Physical Review B},
number = 14,
volume = 96,
place = {United States},
year = {2017},
month = {10}
}

Works referenced in this record:

Magnetic and Transport Properties of the System La1-xSrxCoO3-? (0 < x ? 0.50)
journal, September 1995
  • Senar??s-Rodr?iguez, M.; Goodenough, J.
  • Journal of Solid State Chemistry, Vol. 118, Issue 2, p. 323-336
  • DOI: 10.1006/jssc.1995.1351