Related papers: Temperature-driven Phase Transformation in Y_3Co: …
We study the electronic structure change of yttrium trihydride $\mathrm{YH_3}$ by applying a hydrostatic pressure. At zero pressure, $\mathrm{YH_3}$ has the structure with energy favored symmetry group $P\bar{3}c1$ (165). From first…
Raman scattering in relaxor ferroelectric PbMg1/3Ta2/3O3 (PMT) was investigated in the single crystalline form in the temperature range of 20 - 295 K. Anomalous temperature dependence of the integrated intensity and the Raman line contours…
It is known that itinerant metamagnetic transitions can be driven by features in the electronic density of states. We study the signatures of these transitions in the entropy and specific heat for a variety of different cases, identifying…
This study explores the pressure evolution of the double perovskite Ba$_2$NiTeO$_6$ by employing experimental and computational techniques. For the study of structural and vibrational properties, synchrotron X-ray diffraction (XRD) and…
The low-temperature and high-magnetic field (2K, 8T) powder x-ray diffraction (LTHM-XRD) measurements have been carried out at different temperatures (T) and magnetic fields (H) to investigate the structural phase diagram for phase…
The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is…
The magnetic, electric and thermal properties of the ($Ln_{1-y}$Y$_{y}$)$_{0.7}$Ca$_{0.3}$CoO$_3$ perovskites ($Ln$~=~Pr, Nd) were investigated down to very low temperatures. The main attention was given to a peculiar metal-insulator…
Few materials undergo cooperative Jahn-Teller (JT) transitions at low temperatures, but zircon-type oxides are one class that includes DyVO$_4$, which transforms from a tetragonal to an orthorhombic structure at around 13.6 K, with a narrow…
The organic metal \theta$-(BETS)$_4$HgBr$_4$(C$_6$H$_5$Cl) is known to undergo a phase transition as the temperature is lowered down to about 240 K. X-ray data obtained at 200 K indicate a corresponding modification of the crystal…
SrTiO$_3$ has been extensively investigated owing to its abundant degrees of freedom for modulation. However, the microscopic mechanism of thermal transport especially the relationship between phonon scattering and lattice distortion during…
Dielectric measurements at very low temperature indicate that in a glass with the eutectic composition BaO-Al$_2$O$_3$-SiO$_2$ a phase transition occurs at 5.84 mK. Below that temperature small magnetic fields of the order of 10 $\mu$T…
We report on the crystallographic information such as lattice parameters, atomic positions, bond lengths and angles, and local crystalline distortion size and mode of single-crystal YCrO$_3$ compound by a high-resolution synchrotron X-ray…
Materials where localized magnetic moments are coupled to itinerant electrons, the so-called Kondo lattice materials, provide a very rich backdrop for strong electron correlations. They are known to realize many exotic phenomena, including…
We studied the isotropic Compton profile of the prototypical oxide VO$_2$ across the temperature induced electronic and structural phase transition at T$_C$ $\approx$ 340 K. We show that the phase transition leaves an observable signal,…
A second-principles effective interatomic potential is introduced for the prototypical perovskite CaTiO$_3$ (CTO), relying on a Taylor polynomial expansion of the Born-Oppenheimer energy surface around the cubic reference structure, in…
The synthesis, structural, magnetic, thermal and transport properties are reported for polycrystalline PrIr3. At room temperature PrIr3 displays the rhombohedral space group R-3m and a PuNi3- type structure. At around 70 K a phase…
We have studied the temperature dependence of the photoemission spectra of Pr$_{1-x}$Ca$_x$MnO$_3$ (PCMO) with $x=0.25$, 0.3 and 0.5. For $x=0.3$ and 0.5, we observed a gap in the low-temperature CE-type charge-ordered (CO) phase and a…
We have used an effective model of ferroelectric PbTiO$_{3}$, which displays a representative soft mode-driven phase transition, to investigate how different features of the potential-energy surface affect the transition temperature $T_{\rm…
Transition-metal perovskite oxides exhibit moderately correlated metallic phases, several of which exhibit a $T^2$ resistivity scaling up to temperatures far exceeding the regime where Fermi-liquid electron-electron scattering is expected…
We investigated the electronic structure of the Si(111)--7$\times$7 surface below 20 K by scanning tunneling and photoemission spectroscopies and by density functional theory calculations. Previous experimental studies have questioned the…