Related papers: Second-order phase transition at high-pressure in …
Recent experiments showed the distinct observations on the transition metal ditelluride NiTe$_2$ under pressure: one reported a superconducting phase transition at 12 GPa, whereas another observed a sign reversal of Hall resistivity at 16…
RNA forms elaborate secondary structures through intramolecular base pairing. These structures perform critical biological functions within each cell. Due to the availability of a polynomial algorithm to calculate the partition function…
The structural phase behaviors of pure zirconium metal under compressions up to $160$ GPa at room temperature are investigated from the perspective of ensemble theory where the partition function is solved by our recently proposed method…
High pressure Raman spectroscopy of bulk 2H-MoTe$_2$ upto $\sim$ 29 GPa is shown to reveal two phase transitions (at $\sim$ 6 and 16.5 GPa), which are analyzed using first-principles density functional theoretical calculations. The…
Powder X-ray diffraction experiments under pressure up to $\sim$10 GPa were performed on tetragonal CeFeSi-type $R$MnSi ($R$ = La, Ce, Pr, Nd). A structural phase transition was observed in CeMnSi at a critical pressure of $P_{\rm s}$…
LaNiGa2 is a time-reversal symmetry breaking superconductor with symmetry protected band crossings, making it an ideal platform for investigating the interplay between unconventional superconductivity and electronic structure topology. Here…
Plate-like single crystals of SrFe2As2 as large as 3x3x0.5 mm3 have been grown out of Sn flux. The SrFe2As2 single crystals show a structural phase transition from a high temperature tetragonal phase to a low temperature orthorhombic phase…
Certain alumino-silicates display exotic properties enabled by their framework structure made of corner-sharing tetrahedral rigid units. Using \textit{in situ} diamond-anvil cell x-ray diffraction (XRD), we study the pressure-induced…
Mixed-order phase transitions display a discontinuity in the order parameter like first-order transitions yet feature critical behavior like second-order transitions. Such transitions have been predicted for a broad range of equilibrium and…
Bismuth displays puzzling superconducting properties. In its crystalline equilibrium phase, it does not seem to superconduct at accessible low temperatures. However, in the amorphous phase it displays superconductivity at ~ 6 K. Under…
The structural properties of LaRu$_2$P$_2$ under external pressure have been studied up to 14 GPa, employing high-energy x-ray diffraction in a diamond-anvil pressure cell. At ambient conditions, LaRu$_2$P$_2$ (I4/mmm) has a tetragonal…
We consider an off-lattice liquid crystal pair potential in strictly two dimensions. The potential is purely repulsive and short-ranged. Nevertheless, by means of a single parameter in the potential, the system is shown to undergo a…
Unprecedented bright and intense synchrotron X-rays have been widely used to unravel numerous compelling electronic and structural properties using a large variety of physical techniques, while the puzzling phenomenon is the uncertainties…
EXAFS spectroscopy experiments have been carried out on quartz-like GaAsO4 and AlAsO4 at high pressure and room temperature. It has been shown that these materials exhibit two structural phase transitions; the first transition to a high…
Sm-doped BiFeO3 compacted powders with composition across the morphotropic phase boundary region were prepared by sol-gel method. Crystal structure, morphology and magnetic state of the compounds were analyzed as a function of dopant…
Based on ab initio calculations and metadynamics simulations, we predict that 2H-MoS$_2$, a layered insulator, will metallize under pressures in excess of 20-30 GPa. In the same pressure range, simulations and enthalpy optimization predict…
High pressure behavior of potassium chlorate (KClO$_3$) has been investigated from 0-10 GPa by means of first principles density functional theory (DFT) calculations. The calculated ground state parameters, transition pressure and phonon…
In situ high-pressure energy dispersive x-ray diffraction experiments on polycrystalline powder TiN with NaCl-type structure have been conducted with the pressure up to 30.1 GPa by using the diamond anvil cell instrument with synchrotron…
Tailoring the degree of structural disorder in Ge-Sb-Te alloys is important for the development of non-volatile phase-change memory and neuro-inspired computing. Upon crystallization from the amorphous phase, these alloys form a cubic…
Density functional perturbation theory calculations of alpha-quartz using extended norm conserving pseudopotentials have been used to study the elastic properties and phonon dispersion relations along various high symmetry directions as a…