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Geometrically frustrated trimer-based Mott insulator

Author(s): Nguyen, Loi Thuan; Halloran, T.; Xie, Weiwei; Kong, Tai; Broholm, Collin L.; et al

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Abstract: © 2018 American Physical Society. The crystal structure of Ba4NbRu3O12 is based on triangular planes of elongated Ru3O12 trimers oriented perpendicular to the plane. We report that it is semiconducting, that its Weiss temperature and effective magnetic moment are -155 K and 2.59μB/f.u., respectively, and that the magnetic susceptibility and specific-heat data indicate that it exhibits magnetic ordering near 4 K. The presence of a high density of low energy states is evidenced by a substantial Sommerfeld-like T-linear term [γ=31(2)mJmol-1K-2] in the specific heat. Electronic-structure calculations reveal that the electronic states at the Fermi energy reside on the Ru3O12 trimers and that the calculated density of electronic states is high and continuous around the Fermi energy-in other words density functional theory calculates the material to be a metal. The results imply that Ba4NbRu3O12 is a geometrically frustrated trimer-based Mott insulator.
Publication Date: May-2018
Electronic Publication Date: 25-May-2018
Citation: Nguyen, Loi T., Halloran, T., Xie, Weiwei, Kong, T., Broholm, Collin L., Cava, Robert J. (2018). Geometrically frustrated trimer-based Mott insulator. Physical Review Materials, 2 (5), 10.1103/PhysRevMaterials.2.054414
DOI: doi:10.1103/PhysRevMaterials.2.054414
EISSN: 2475-9953
Pages: 2.5:054414-1 - 054414-7
Type of Material: Journal Article
Journal/Proceeding Title: Physical Review Materials
Version: Final published version. This is an open access article.
Notes: Physical Review Materials. Volume 2, Issue 5, 25 May 2018, Article number 054414.

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