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Title: Low-temperature crystal and magnetic structure of α – RuCl 3

Here, single crystals of the Kitaev spin-liquid candidate α – RuCl 3 have been studied to determine the low-temperature bulk properties, the structure, and the magnetic ground state. Refinements of x-ray diffraction data show that the low-temperature crystal structure is described by space group C2/m with a nearly perfect honeycomb lattice exhibiting less than 0.2% in-plane distortion. The as-grown single crystals exhibit only one sharp magnetic transition at T N = 7 K. The magnetic order below this temperature exhibits a propagation vector of k=(0,1,1/3), which coincides with a three-layer stacking of the C2/m unit cells. Magnetic transitions at higher temperatures up to 14 K can be introduced by deformations of the crystal that result in regions in the crystal with a two-layer stacking sequence. The best-fit symmetry-allowed magnetic structure of the as-grown crystals shows that the spins lie in the ac plane, with a zigzag configuration in each honeycomb layer. The three-layer repeat out-of-plane structure can be refined as a 120° spiral order or a collinear structure with a spin direction of 35° away from the a axis. The collinear spin configuration yields a slightly better fit and also is physically preferred. The average ordered moment in either structuremore » is less than 0.45(5) μB per Ru 3+ ion.« less
Authors:
 [1] ;  [2] ;  [1] ;  [1] ;  [2] ;  [1] ;  [2] ;  [1] ;  [1]
  1. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)
Publication Date:
Grant/Contract Number:
AC05-00OR22725
Type:
Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 93; Journal Issue: 13; 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)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
OSTI Identifier:
1255683
Alternate Identifier(s):
OSTI ID: 1248067

Cao, Huibo B., Yan, Jiaqiang, Bridges, Craig A., Lumsden, Mark D., Mandrus, D. G., Chakoumakos, Bryan C., Nagler, Stephen E., Banerjee, A., and Tennant, D. A.. Low-temperature crystal and magnetic structure of α – RuCl3. United States: N. p., Web. doi:10.1103/PhysRevB.93.134423.
Cao, Huibo B., Yan, Jiaqiang, Bridges, Craig A., Lumsden, Mark D., Mandrus, D. G., Chakoumakos, Bryan C., Nagler, Stephen E., Banerjee, A., & Tennant, D. A.. Low-temperature crystal and magnetic structure of α – RuCl3. United States. doi:10.1103/PhysRevB.93.134423.
Cao, Huibo B., Yan, Jiaqiang, Bridges, Craig A., Lumsden, Mark D., Mandrus, D. G., Chakoumakos, Bryan C., Nagler, Stephen E., Banerjee, A., and Tennant, D. A.. 2016. "Low-temperature crystal and magnetic structure of α – RuCl3". United States. doi:10.1103/PhysRevB.93.134423. https://www.osti.gov/servlets/purl/1255683.
@article{osti_1255683,
title = {Low-temperature crystal and magnetic structure of α – RuCl3},
author = {Cao, Huibo B. and Yan, Jiaqiang and Bridges, Craig A. and Lumsden, Mark D. and Mandrus, D. G. and Chakoumakos, Bryan C. and Nagler, Stephen E. and Banerjee, A. and Tennant, D. A.},
abstractNote = {Here, single crystals of the Kitaev spin-liquid candidate α – RuCl3 have been studied to determine the low-temperature bulk properties, the structure, and the magnetic ground state. Refinements of x-ray diffraction data show that the low-temperature crystal structure is described by space group C2/m with a nearly perfect honeycomb lattice exhibiting less than 0.2% in-plane distortion. The as-grown single crystals exhibit only one sharp magnetic transition at TN = 7 K. The magnetic order below this temperature exhibits a propagation vector of k=(0,1,1/3), which coincides with a three-layer stacking of the C2/m unit cells. Magnetic transitions at higher temperatures up to 14 K can be introduced by deformations of the crystal that result in regions in the crystal with a two-layer stacking sequence. The best-fit symmetry-allowed magnetic structure of the as-grown crystals shows that the spins lie in the ac plane, with a zigzag configuration in each honeycomb layer. The three-layer repeat out-of-plane structure can be refined as a 120° spiral order or a collinear structure with a spin direction of 35° away from the a axis. The collinear spin configuration yields a slightly better fit and also is physically preferred. The average ordered moment in either structure is less than 0.45(5) μB per Ru3+ ion.},
doi = {10.1103/PhysRevB.93.134423},
journal = {Physical Review B},
number = 13,
volume = 93,
place = {United States},
year = {2016},
month = {4}
}