Robust atomic orbital in the cluster magnet LiMoO2

Abstract

In this study, we present a rutile-related material, LiMoO2, that becomes a cluster magnet and exhibits a spin singlet formation on a preformed molybdenum dimer upon cooling. Unlike ordinary cluster magnets, the atomic dyz orbital robustly survives despite the formation of molecular orbitals, thereby affecting the magnetic properties of the selected material. Such hybrid cluster magnets with the characters of molecular and atomic orbitals realize multiple independent spins on an isolated cluster, leading to an ideal platform to study the isolated spin dimers physics.

6 pages, 4 figures

References in corpus (8)

• Self-consistency over the charge-density in dynamical mean-field theory: a linear muffin-tin implementation and some physical implications
• Possible valence-bond condensation in the frustrated cluster magnet LiZn2Mo3O8
• The low-temperature highly correlated quantum phase in the charge-density-wave 1T-TaS_2 compound
• Band Jahn-Teller Instability and Formation of Valence Bond Solid in a Mixed-Valent Spinel Oxide LiRh2O4
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• Fermi surface of MoO2 studied by angle-resolved photoemission spectroscopy, de Haas-van Alphen measurements, and electronic structure calculations
• Regular-Triangle Trimer and Charge Order Preserving the Anderson Condition in the Pyrochlore Structure of CsW${}_2$O${}_6$
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Cited by in corpus (5)

• Observation of local atomic displacements intrinsic to the double zigzag chain structure of 1T-MTe2 (M = V, Nb, Ta)
• Short-range order and increased transition temperature in LiVO2 with weakened trimer frustration
• Charge-ordered state satisfying the Anderson condition in LiRh2O4 arising from local dimer order
• Zigzag chain order of LiVSe${}_2$ developing away from the vanadium trimer phase transition boundary
• Reexamination of the charge-ordered dimer pattern in the spinel compound CuIr2S4 using single-crystal synchrotron x-ray diffraction