Related papers: New Phases of Solid Nitrogen
We report a comparative study of rigid layer Raman-active modes in $N$-layer transition metal dichalcogenides. Trigonal prismatic (2Hc, such as MoSe$_2$, MoTe$_2$, WS$_2$, WSe$_2$) and distorted octahedral (1T', such as ReS$_2$ and…
The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter $\sigma$) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is…
The first-principle method of mathematical modeling was used to calculate the structural, electronic, phonon, and other characteristics of the normal metallic phase of hydrogen at a pressure of 500 GPa. It has been shown that metal hydrogen…
Nitrogen is the fifth most abundant element in the Universe, yet the gas-phase chemistry of N-bearing species remains poorly understood. Nitrogen hydrides are key molecules of nitrogen chemistry. Their abundance ratios place strong…
Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at \num{1973} and \SI{2060}{cm^{-1}}, detected by Fourier transform infrared…
A combined ab initio and quantum dynamical study characterizes a family of bent neutral carbon dioxide molecules in terms of their vibrational levels, electric dipole moment surfaces, and infrared spectra in the gas phase. The considered…
The stability of liquid crystal phases in presence of small amount of non-mesogenic impurities is of general interest for a large spectrum of technological applications and in the theories of binary mixtures. Starting from the known phase…
This work reports on the first Raman detection of the tetragonal to monoclinic phase transition in PZT ceramics near morphotropic phase boundary at low temperatures. The transition is characterized by changes in the frequency of lattice…
After a brief history of neutron stars and supernovae recent developments are discussed. Based on modern nucleon-nucleon potentials more reliable equations of state for dense nuclear matter have been constructed. Furthermore, phase…
We present a unified view of orientational ordering in phases I, II, and III of solid hydrogen. Phases II and III are orientationally ordered, while the ordering objects in phase II are angular momenta of rotating molecules, and in phase…
We propose a two-stage mechanism for the rotational surface disordering phase transition of a molecular crystal, as realized in C$_{60}$ fullerite. Our study, based on Monte Carlo simulations, uncovers the existence of a new intermediate…
Solid CO2 phase I was studied using the pressure-constant NPT Monte Carlo simulation and the Kihara core potential in the temperature range below 194 K and the pressure range below 10 GPa. At a pressure of 1 bar, the temperature dependence…
We consider a mixture of hard core bosonic polar molecules, interacting via repulsive dipole-dipole interaction, and one atomic bosonic species. The mixture is confined on a two-dimensional square lattice and, at low enough temperatures,…
The investigation of high-pressure chemical reaction dynamics has long been constrained by the absence of effective in-situ characterization methods. Here we performed the state-of-the-art synchrotron radiation in-situ X-ray imaging based…
We discuss the effect of a strong magnetic field on neutron $^{3}P_{2}$ superfluidity. Based on the attraction in the $^{3}P_{2}$ pair of two neutrons, we derive the Ginzburg-Landau equation in the path-integral formalism by adopting the…
We present results from extensive 3-d molecular dynamics (MD) simulations of phase separation kinetics in fluids. A coarse-graining procedure is used to obtain state-of-the-art MD results. We observe an extended period of temporally linear…
The complexity of strongly correlated electron physics in vanadium dioxide is exemplified as its rich phase diagrams of all kinds, which in turn shed light on the mechanisms behind its various phase transitions. In this work, we map out the…
Hexagonally structured MnRuP was studied under high pressure up to 35 GPa from 5 to 300 K using synchrotron X-ray diffraction. We observed that a partial phase transition from hexagonal to orthorhombic symmetry started at 11 GPa. The new…
First-order phase transitions are characterized by a discontinuous first derivative of the Gibbs free energy, so that volumes and entropies are discontinuous. Such transitions are common in the crystalline state, but extremely rare in…
A simple model is proposed for nematogenic molecules that favor perpendicular orientations as well as parallel ones. (Charged rods, for example, show this antagonistic tendency.) When a small disorienting field is applied along $z$, a low…