Tetrahedra system Cudaca: high-temperature manifold of molecular configurations governing low-temperature properties

Abstract

The Cudaca system composed of isolated Cu2+ S=1/2 tetrahedra with antiferromagnetic exchange should exhibit properties of a frustrated quantum spin system. ab initio density functional theory calculations for electronic structure and molecular dynamics computations suggest a complex interplay between magnetic exchange, electron delocalization and molecular vibrations. Yet, extensive experimental characterization of Cudaca by means of synchrotron x-ray diffraction, magnetization, specific heat and inelastic neutron scattering reveal that properties of the real material can be only partly explained by proposed theoretical models as the low temperature properties seem to be governed by a manifold of molecular configurations coexisting at high temperatures.

arXiv comment15 figures

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• Current induced multi-mode propagating spin waves in a spin transfer torque nano-contact with strong perpendicular magnetic anisotropy
• The quantum spin quadrumer
• A systematic approach to determine the spectral characteristics of molecular magnets