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Lebernegg, S; Rosner, H; Tsirlin, A A; Janson, O; Redhammer, G J, E-mail: st.lebernegg@gmail.com2016
AbstractAbstract
[en] Magnetic and crystallographic properties of the mineral langite Cu4(OH)6SOH2O are reported. Thermodynamic measurements combined with a microscopic analysis, based on density-functional bandstructure calculations, identify a quasi-two-dimensional (2D), partially frustrated spin-1/2 lattice resulting in the low Néel temperature of K. This spin lattice splits into two parts with predominant ferro- and antiferromagnetic (AFM) exchange couplings, respectively. The former, ferromagnetic (FM) part is prone to the long-range magnetic order and saturates around 12 T, where the magnetization reaches 0.5 /Cu. The latter, AFM part features a spin-ladder geometry and should evade long-range magnetic order. This representation is corroborated by the peculiar temperature dependence of the specific heat in the magnetically ordered state. We argue that this separation into ferro- and antiferromagnetic sublattices is generic for quantum magnets in Cu2+ oxides that combine different flavors of structural chains built of CuO4 units. To start from reliable structural data, the crystal structure of langite in the 100–280 K temperature range has been determined by single-crystal x-ray diffraction, and the hydrogen positions were refined computationally. (paper)
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Source
Available from http://dx.doi.org/10.1088/1367-2630/18/3/033020; Country of input: International Atomic Energy Agency (IAEA)
Record Type
Journal Article
Journal
New Journal of Physics; ISSN 1367-2630;
; v. 18(3); [14 p.]

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ANGULAR MOMENTUM, CALCULATION METHODS, CHALCOGENIDES, CHARGED PARTICLES, COHERENT SCATTERING, COPPER COMPOUNDS, CRYSTALS, DIFFRACTION, ELEMENTS, HYDROGEN COMPOUNDS, IONS, MAGNETISM, MICROSCOPY, NONMETALS, OXIDES, OXYGEN COMPOUNDS, PARTICLE PROPERTIES, PHYSICAL PROPERTIES, SCATTERING, THERMODYNAMIC PROPERTIES, TRANSITION ELEMENT COMPOUNDS, VARIATIONAL METHODS
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