Related papers: High pressure ionic and molecular crystals of ammo…
A set of different equations of state is implemented in the molecular dynamics part of a non-equilibrium transport simulation (UrQMD) of heavy-ion collisions. It is shown how different flow observables are affected by the density dependence…
The high-pressure behaviour of PbS was investigated by angular dispersive X-ray powder diffraction up to pressures of 6.8 GPa. Experiments were accompanied by first principles calculations at the density functional theory level. By…
We study the thermodynamical properties of compressed baryonic matter with strangeness within non-relativistic energy density functional models with a particular emphasis on possible phase transitions found earlier for a simple…
We present measurements of the polarization-transfer components in the $^2$H$(\vec e,e'\vec p)$ reaction, covering a previously unexplored kinematic region with large positive (anti-parallel) missing momentum, $p_{\rm miss}$, up to 220…
The charge and proton dynamics in hydrogen-bonded networks are investigated using ammonia as a model system. The fragmentation dynamics of medium-sized clusters (1-2 nm) upon single photon multi-ionization is studied, by analyzing the…
An alternative type of approximation for the exchange and correlation functional in density functional theory is proposed. This approximation depends on a variable $u$ that is able to detect inhomogeneities in the electron density $\rho$…
Temperature-driven phase transition is a long-standing frontier in material science, among which the most common phenomenon is the transition from a low-temperature magnetic-ordered phase to a high-temperature paramagnetic phase. A…
We derive from first principles the mechanical pressure $P$, defined as the force per unit area on a bounding wall, in a system of spherical, overdamped, active Brownian particles at density $\rho$. Our exact result relates $P$, in closed…
The sequence of phase transitions in PbHf0.83Sn0.17O3 has been studied by THz, far infrared and Raman spectroscopies, revealing the complementary behaviour of both, polar and non-polar phonons and their impact on the transition lattice…
We report ab initio calculations of the melting curve and Hugoniot of molybdenum for the pressure range 0-400 GPa, using density functional theory (DFT) in the projector augmented wave (PAW) implementation. We use the ``reference…
Thermoelectric (Bi1-x Sbx)2Te3 (BST-x) compounds with x=0.2, 0.7 and 0.9 have been studied using synchrotron angle-dispersive powder x-ray diffraction in a diamond anvil cell up to 25 GPa (at room temperature). The results clearly indicate…
The topological semimetal YPtBi has attracted considerable attention, owing to its novel superconducting and normal state properties. A strong band inversion from spin-orbit coupling allows the existence of $j=3/2$ quasiparticles near the…
Polarization transfer in quasi-elastic nucleon knockout is sensitive to the properties of the nucleon in the nuclear medium. In experiment E03-104 at Jefferson Lab we measured the proton recoil polarization in the 4He(e,e'p)3H reaction at a…
In this article, we use hybrid density functional (HSE06) to study the crystal and electronic structures and optical properties of well known phase change memory material $\mathrm{Ge_{2}Sb_{2}Te_{5}}$. We calculate the structural…
A recent work has demonstrated that MoB$_2$, transforming to the same structure as MgB$_2$ ($P6/mmm$), superconducts at temperatures above 30 K near 100 GPa [C. Pei $et$ $al$. Natl. Sci. Rev., nwad034 (2023)], and Nb-substitution in MoB$_2$…
Using first-principles evolutionary simulations, we have systematically investigated phase stability in the Hf-O system at pressure up to 120 GPa. New compounds Hf5O2, Hf3O2, HfO and HfO3 are discovered to be thermodynamically stable at…
Measurements of temperature-dependent resistance and magnetization under hydrostatic pressures up to 2.13 GPa are reported for single-crystalline, superconducting BaBi$_3$. A temperature - pressure phase diagram is determined and the…
Polarization transfer in quasi-elastic nucleon knockout is sensitive to the properties of the nucleon in the nuclear medium, including possible modification of the nucleon form factor and/or spinor. In our recently completed experiment…
We investigate via quantum molecular-dynamics simulations the thermophysical properties of shocked liquid ammonia up to the pressure 1.3 TPa and temperature 120000 K. The principal Hugoniot is predicted from wide-range equation of state,…
We investigate magnetism and quantum phase transitions in a one-dimensional system of integrable spin-1 bosons with strongly repulsive density-density interaction and antiferromagnetic spin exchange interaction via the thermodynamic Bethe…