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The orthovanadate DyVO3 crystal, known to exhibit multiple structural, spin and orbital ordering transitions, is presently investigated on the basis of magnetization, heat capacity, resistivity, dielectric and polarization measurements. Our…
Elastic and inelastic neutron scattering measurements have been carried out to investigate the magnetic properties of superconducting (Tc~8K) HoNi2B2C. The inelastic measurements reveal that the lowest two crystal field transitions out of…
We present a structural analysis of the substituted system (Ba$_{1-x}$Sr$_{x}$)CuSi$_{2}$O$_{6}$, which reveals a stable tetragonal crystal structure down to 1.5 K. We explore the structural details with lowtemperature neutron and…
Most of magnetic transitions related to Ce ordering are found below T_ord~12K. Among the few cases exceeding that temperature, two types of behaviors can be distinguished. One of them is related to the rare cases of Ce binary compounds…
We report magnetic and thermodynamic properties of single crystal $\alpha$-RuCl$_3$, in which the Ru$^{3+}$ ($4d^5$) ion is in its low spin state and forms a honeycomb lattice. Two features are observed in both magnetic susceptibility and…
Single crystal X-ray diffraction measurements were performed on one-dimensional mixed valence vanadium bronze $\beta$-SrV$_6$O$_{15}$ in which a metal-insulator transition exists at 170 K. Above 170 K the P2$_1$/a structure with zigzag…
Molecular Dynamics simulations have been performed on the orientationally disordered crystal chloroadamantane: a model system where dynamics are almost completely controlled by rotations. A critical temperature T_c = 225 K as predicted by…
The crystal and magnetic structures of AlFe2B2 have been studied with a combination of X-ray and neutron diffraction and electronic structure calculations. The magnetic and magnetocaloric properties have been investigated by magnetisation…
We present a temperature dependent single crystal x-ray diffraction study of twinned orthorhombic perovskites La1-xCaxMnO3, for x=0.16 and x=0.25. These data show the evolution of the crystal structure from the ferromagnetic insulating…
Altermagnets are a class of materials with compensated magnetic moments, in which spin sublattices are related by specific symmetries other than inversion or translation. This allows time-reversal symmetry to be broken without a net…
RuO$_2$ was considered for a long time to be a paramagnetic metal with an ideal rutile-type structure down to low temperatures, but recent studies on single-crystals claimed evidence for antiferromagnetic order and some symmetry breaking in…
Zirconia (ZrO2) is an important material with technological applications which are affected by point defect physics. Ab-initio calculations are performed to understand the structural and electronic properties of oxygen vacancies and…
The temperature-dependent electronic structures of heavy fermion compound CeB$_{6}$ are investigated thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The band structure,…
First principles electronic structure calculations have been carried out on ordered double perovskites Sr_2B'B"O_6 (for B' = Cr or Fe and B" 4d and 5d transition metal elements) with increasing number of valence electrons at the B-sites,…
We have investigated the magnetic phase diagram of a fully oxygenated detwinned YBa2Cu3O7 single crystal by means of magneto-caloric and magnetization measurements, and found thermodynamic evidence for a temperature dependent first-order…
We consider the roughening of small angle grain boundaries consisting of arrays of dislocations and found two transitions, corresponding to fluctuations of the dislocations along and perpendicular to the boundaries. The latter contributes…
LV4O8 (L = Yb, Y, Lu) compounds are reported to crystallize in a structure similar to that of the orthorhombic CaFe2O4 structure-type, and contain four inequivalent V sites arranged in zigzag chains. We confirm the structure and report the…
Calcium vanadate CaV$_2$O$_4$ has a crystal structure of quasi-one-dimensional zigzag chains composed of orbital-active V$^{3+}$ ions and undergoes successive structural and antiferromagnetic phase transitions at $T_s\sim 140$ K and $T_N…
The structural properties of the CaFe2As2 have been investigated by x-ray and neutron powder diffraction techniques as a function of temperature. Unambiguous experimental evidence is shown for coexistence of tetragonal and orthorhombic…
We investigate a new mechanism for the cosmological QCD phase transition: inhomogeneous nucleation. The primordial temperature fluctuations, measured to be $\delta T/T \sim 10^{-5}$, are larger than the tiny temperature interval, in which…