Related papers: ScPd2Al3 New Polymorphic Phase in Al-Pd-Sc System
Superconductivity in materials whose crystal structure lacks inversion symmetry is a prime candidate for unconventional superconductivity. A new noncentrosymmetric compound Zr$_{3}$Ir crystallizes in a tetragonal $ \alpha $-V$_{3} $S…
Ab initio evolutionary structure searches coupled with quasiharmonic calculations predict that the insulating Na hP4 phase transitions to a novel P63/m phase between 200 GPa at 150 K, and 350 GPa at 1900 K. P63/m Na is a topological…
High temperature crystal structure of UPt$_2$Si$_2$ determined using single-crystal neutron diffraction at 400 K is reported. It is found that the crystal structure remains of the primitive tetragonal CaBe$_2$Ge$_2$ type with the space…
Up to now the crystallographic structure of the magnetoelectric perovskite EuTiO3 was considered to remain cubic down to low temperature. Here we present high resolution synchrotron X-ray powder diffraction data showing the existence of a…
The nature of polyamorphism and amorphous-to-amorphous transition is investigated by means of an exactly solvable model with quenched disorder, the spherical s+p multi-spin interaction model. The analysis is carried out in the framework of…
We report the discovery of an ultra-stable antiferromagnetic two-dimensional (2D) CrF3 phase that is energetically more favorable than the traditionally assumed hexagonal structure. Using first-principles calculations and evolutionary…
In this work, we have thoroughly studied the effects of flux composition and temperature on the crystal growth of the BaCu2As2 compound. While Pb and CuAs self-flux produce the well-known {\alpha}-phase ThCr2Si2-type structure (Z=2), a new…
In this study, ultrasonic measurements were performed on a single crystal of cubic PrNi$_2$Cd$_{20}$, down to a temperature of 0.02 K, to investigate the crystalline electric field ground state and search for possible phase transitions at…
A new extended solid nitrogen, referred to post-layered-polymeric nitrogen (PLP-N), was observed by further heating the layered-polymeric nitrogen (LP-N) to above 2300 K at 161 GPa. The new phase is found to be very transparent and exhibits…
LiCu_2O_2 single crystals were studied in the temperature range 300-1100 K by means of heating-cooling curves of differential thermal analysis (DTA), thermogravimetry (TG), X-ray powder diffraction and electrical measurements. A reversible…
We report on the high-pressure synthesis of a CrS$_2$ phase in the form of single-crystalline nanorods. A structural refinement of Precession Electron Diffraction Tomography data confirms the nominal CrS$_2$ composition and unveils a…
We present a second-nearest-neighbor Modified Embedded Atom Method (2NN--MEAM) potential for Scandium (Sc) and Aluminum-Scandium (Al--Sc) alloys that unifies cohesive, thermodynamic, and solidification behavior within a single transferable…
Recent experiments discovered an order-disorder transition occuring at low temperatures in large unit 1/1 cell cubic approximants of the stable Cd-based binary alloy quasicrystals. The transition is related to correlations among…
We investigate the high-pressure phase transitions in BiFeO3 by single crystal and powder x-ray diffraction, as well as single crystal Raman spectroscopy. Six phase transitions are reported in the 0-60 GPa range. At low pressures, up to 15…
Structural phase transformations in (001)-oriented (1-x)Pb(Mg1/3Nb2/3O3)-32%PbTiO3 (PMN-x%PT) crystals have been investigated by x-ray diffraction. A C->T->MC sequence was observed in both the field-cooled (FC) and zero-field-cooled (ZFC)…
Motivated by the intriguing properties of the Shastry-Sutherland compound SrCu2(BO3)2 under pressure, with a still debated intermediate plaquette phase appearing at around 20 kbar and a possible deconfined critical point at higher pressure…
We have performed high-pressure, electrical resistivity, and specific heat measurements on CeTe3 single crystals. Two magnetic phases with nonparallel magnetic easy axes were detected in electrical resistivity and specific heat at low…
A new modification of KOs2O6, the representative of a new structural type (Pearson symbol aP18, a=5.5668(1)A, b=6.4519(2)A, c=7.2356(2)A, space group P-1, no.2) was synthesized employing high pressure technique. Its structure was determined…
Employing first principles parallel tempering molecular dynamics in the microcanonical ensemble, we report the presence of a clear solid-liquid-like melting transition in Al20+ clusters, not found in experiments. The phase transition…
We use solid-state methods to synthesize single crystals of perovskite-phase cesium lead iodide (${\gamma}$-CsPbI3) that are kinetically stable at room temperature. Single crystal X-ray diffraction characterization shows that the compound…