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Selected Works of Santosh KC
Article
High temperature magneto-structural transition in van der Waals-layered -MoCl3
Physical Review Materials (2017)
  • Michael A. McGuire, Oak Ridge National Laboratory
  • Jiaqiang Yan, Oak Ridge National Laboratory
  • Paula Lampen-Kelley, Oak Ridge National Laboratory
  • Andrew F. May, Oak Ridge National Laboratory
  • Valentino R. Cooper, Oak Ridge National Laboratory
  • Lucas Lindsay, Oak Ridge National Laboratory
  • Alexander Puretzky, Oak Ridge National Laboratory
  • Liangbo Liang, Oak Ridge National Laboratory
  • Santosh KC, Oak Ridge National Laboratory
  • Ercan Cakmak, Oak Ridge National Laboratory
  • Stuart Calder, Oak Ridge National Laboratory
  • Brian C. Sales, Oak Ridge National Laboratory
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Abstract
The crystallographic and magnetic properties of the cleavable 4d3 transition metal compound α−MoCl3 are reported, with a focus on the behavior above room temperature. Crystals were grown by chemical vapor transport and characterized using temperature dependent x-ray diffraction, Raman spectroscopy, and magnetization measurements. A structural phase transition occurs near 585 K, at which the Mo-Mo dimers present at room temperature are broken. A nearly regular honeycomb net of Mo is observed above the transition, and an optical phonon associated with the dimerization instability is identified in the Raman data and in first-principles calculations. The crystals are diamagnetic at room temperature in the dimerized state, and the magnetic susceptibility increases sharply at the structural transition. Moderately strong paramagnetism in the high-temperature structure indicates the presence of local moments on Mo. This is consistent with results of spin-polarized density functional theory calculations using the low- and high-temperature structures. Above the magnetostructural phase transition the magnetic susceptibility continues to increase gradually up to the maximum measurement temperature of 780 K, with a temperature dependence that suggests two-dimensional antiferromagnetic correlations.
Disciplines
Publication Date
November 7, 2017
DOI
10.1103/PhysRevMaterials.1.064001
Publisher Statement
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This article was published in Physical Review Materials volume 1, issue 6, 2017 and can also be found online here.
Copyright © 2017, American Physical Society
Citation Information
Michael A. McGuire, Jiaqiang Yan, Paula Lampen-Kelley, Andrew F. May, et al.. "High temperature magneto-structural transition in van der Waals-layered -MoCl3" Physical Review Materials Vol. 1 Iss. 6 (2017)
Available at: http://works.bepress.com/santosh-kc/10/