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Title: Magnetic order and electronic structure of 5d 3 double perovskite Sr 2ScOsO 6

Abstract

The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr 2ScOsO 6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.

Authors:
 [1];  [2];  [3];  [1];  [1];  [2];  [4]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Div.
  2. The Ohio State Univ., Columbus, OH (United States). Dept of Chemistry
  3. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Div.
  4. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Quantum Condensed Matter Div.; Univ. of Tennessee, Knoxville, TN (United States). Dept. of Physics and Astronomy
Publication Date:
Research Org.:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). High Flux Isotope Reactor (HFIR); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1185954
Alternate Identifier(s):
OSTI ID: 1181008
Grant/Contract Number:
AC05-00OR22725
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 91; Journal Issue: 10; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats

Taylor, A. E., Morrow, R., Singh, D. J., Calder, S., Lumsden, M. D., Woodward, P. M., and Christianson, A. D. Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6. United States: N. p., 2015. Web. doi:10.1103/PhysRevB.91.100406.
Taylor, A. E., Morrow, R., Singh, D. J., Calder, S., Lumsden, M. D., Woodward, P. M., & Christianson, A. D. Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6. United States. doi:10.1103/PhysRevB.91.100406.
Taylor, A. E., Morrow, R., Singh, D. J., Calder, S., Lumsden, M. D., Woodward, P. M., and Christianson, A. D. Sun . "Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6". United States. doi:10.1103/PhysRevB.91.100406. https://www.osti.gov/servlets/purl/1185954.
@article{osti_1185954,
title = {Magnetic order and electronic structure of 5d3 double perovskite Sr2ScOsO6},
author = {Taylor, A. E. and Morrow, R. and Singh, D. J. and Calder, S. and Lumsden, M. D. and Woodward, P. M. and Christianson, A. D.},
abstractNote = {The magnetic susceptibility, crystal and magnetic structures, and electronic structure of double perovskite Sr2ScOsO6 are reported. Using both neutron and x-ray powder diffraction we find that the crystal structure is monoclinic P21/n from 3.5 to 300 K. Magnetization measurements indicate an antiferromagnetic transition at TN=92 K, one of the highest transition temperatures of any double perovskite hosting only one magnetic ion. Type I antiferromagnetic order is determined by neutron powder diffraction, with an Os moment of only 1.6(1) muB, close to half the spin-only value for a crystal field split 5d electron state with t2g^3 ground state. Density functional calculations show that this reduction is largely the result of strong Os-O hybridization, with spin-orbit coupling responsible for only a ~0.1 muB reduction in the moment.},
doi = {10.1103/PhysRevB.91.100406},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 10,
volume = 91,
place = {United States},
year = {Sun Mar 01 00:00:00 EST 2015},
month = {Sun Mar 01 00:00:00 EST 2015}
}

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