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Magnetic molecules are a class of compounds that is also investigated in view of their magnetocaloric properties. The isothermal entropy change and the adiabatic temperature change are key figures of merit for magnetocaloric performance.…
The physics of interacting nuclear spins arranged in a crystalline lattice is typically described using a thermodynamic framework: a variety of experimental studies in bulk solid-state systems have proven the concept of a spin temperature…
Recently low-temperature structural transition has been reported for complex cubic compounds Cd6M (M=Ca, Yb, Y, rare earth) and it is believed that the transition is due to orientational ordering of an atomic shell in the icosahedral…
Thermodynamic experiments as well as Raman scattering have been used to study the magnetic instabilities in the spin-tetrahedra systems Cu_2Te_2O_5X_2, X=Cl and Br. While the phase transition observed in the Cl system at T_o=18.2 K is…
We suggest a new family of Co/Ni-based materials that may host unconventional high temperature superconductivity (high-T$_c$). These materials carry layered square lattices with each layer being formed by vertex-shared transition metal…
We briefly review the oscillator and spin bath models of quantum environments, which can be used to describe the low-energy dynamics of open quantum systems. We then use them to discuss both the mechanisms causing decoherence at low $T$,…
We report on the magnetic excitation spectrum of the coupled spin tetrahedral system Cu$_{2}$Te$_{2}$O$_{5}$Cl$_{2}$ using Raman scattering on single crystals. The transition to an ordered state at T$_{N}^{Cl}$=18.2 K evidenced from…
Low energy Raman scattering of the s=1/2 spin tetrahedra system Cu_2Te_2O_5Br_2 is dominated by an excitation at 18 cm^{-1} corresponding to an energy E_S=0.6\Delta, with \Delta the spin gap of the compound. For elevated temperatures this…
Magnetization, entropy and magnetocaloric properties of various geometrically frustrated tetrahedra-based Ising antiferromagnetic nanoclusters with corner-, edge-, and face-sharing topologies are studied by exact enumeration. It is found…
Sr_2Cu_3O_4Cl_2 is an antiferromagnet consisting of weakly coupled CuO planes which comprise two weakly interacting antiferromagnetic subsystems, I and II, which order at respective temperatures T_I \approx 390K and T_{II} \approx 40K.…
Tetrahedral liquids such as water and silica-melt show unusual thermodynamic behavior such as a density maximum and an increase in specific-heat when cooled to low temperatures. There is a debate in the literature whether these phenomena…
Though the existence of two-level systems (TLS) is widely accepted to explain low temperature anomalies in many physical observables, knowledge about their properties is very rare. For silica which is one of the prototype glass-forming…
We investigated structural changes, phase diagram, and vibrational properties of hydrogen hydrate in filled-ice phase C2 by using first principles molecular dynamics simulation. It was found that the experimentally reported 'cubic'…
Symmetry-breaking is pivotal for controlling ferroelectric, ferroelastic and/or ferromagnetic functions of materials, which enables applications in sensors, memories, transducers or actuators. Commonly, ferroic phases emerge from descending…
The temperature dependence of the optical and magnetic properties of CuO were examined by means of hybrid density functional theory calculations. Our work shows that the spin exchange interactions in CuO are neither fully one-dimensional…
Neutron scattering studies on powder and single crystals have provided new evidences for unconventional magnetism in Cu2Te2O5Cl2. The compound is built from tetrahedral clusters of S=1/2 Cu2+ spins located on a tetragonal lattice. Magnetic…
In an effort to understand the low temperature behavior of recently synthesized molecular magnets we present numerical evidence for the existence of a rotational band in systems of quantum spins interacting with nearest-neighbor…
Experimental data for the uniform susceptibility, magnetization and specific heat for the material Cu2(C5H12N2)2Cl4 (abbreviated CuHpCl) as a function of temperature and external field are compared with those of three different dimerized…
We present a comparative study of the coupled-tetrahedra quantum spin systems Cu2Te2O5X2, X=Cl, Br (Cu-2252(X)) and the newly synthesized Cu4Te5O12Cl4 (Cu-45124(Cl)) based on ab initio Density Functional Theory calculations. The magnetic…
We investigate the magnetic properties of a range of low-dimensional ferromagnets using a combination of first-principles calculations and atomistic spin dynamics simulations. This approach allows us to evaluate the ground state and finite…