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Hydrogen has been the essential element in the development of atomic and molecular physics1). Moving to the properties of dense hydrogen has appeared a good deal more complex than originally thought by Wigner and Hungtinton in their seminal…
The rapid shape change in Zr isotopes near neutron number $N$=60 is identified to be caused by type II shell evolution associated with massive proton excitations to its $0g_{9/2}$ orbit, and is shown to be a quantum phase transition. Monte…
We present computer simulations of liquid and solid phases of condensed methane at pressures below 25 GPa, between 150 and 300 K, where no appreciable molecular dissociation occurs. We used molecular dynamics (MD) and metadynamics…
In the quest to make metallic hydrogen at low temperatures a rich number of new phases have been found and the highest pressure ones have somewhat flat phase lines, around room temperature. We have studied hydrogen to static pressures of…
Experiments and numerical simulations were carried out in order to contribute to a better understanding and prediction of high-pressure injection into a gaseous environment. Specifically, the focus was put on the phase separation processes…
We report free-standing atomic crystals that are strictly 2D and can be viewed as individual atomic planes pulled out of bulk crystals or as unrolled single-wall nanotubes. By using micromechanical cleavage, we have prepared and studied a…
We predict the existence of a new defect-lattice phase near the nematic - smectic-C (NC) transition. This tilt- analogue of the blue phase is a lattice of double-tilt cylinders. We discuss the structure and stability of the cone phase. We…
Phase stability of various phases of MX (M = Ti, Zr; X = C, N) at equilibrium and under pressure is examined based on first-principles calculations of the electronic and phonon structures. The results reveal that all B1 (NaCl-type) MX…
The crystal structure of CeN was investigated up to pressures of 82 GPa, using diamond anvil cell powder X-ray diffraction in two experiments with He and Si-oil as the pressure transmitting media. In contrast to previous reports, we do not…
A first-principles-derived approach is used to study structural, piezoelectric and dielectric properties of Pb(Zr_{1-x}Ti_{x})O_{3} (PZT) solid solutions near the morphotropic phase boundary at low temperature. Three ferroelectric phases…
Recently a new monoclinic phase in the PbZr(1-x)TixO3 ceramic system has been reported by Noheda et al. for the composition x= 0.48. In the present work, samples with Ti contents of x= 0.47 and 0.50, which are both tetragonal below their…
We present magneto-optic measurements on two materials that form the recently discovered twist-bend nematic (Ntb) phase. This intriguing state of matter represents a new fluid phase that is orientationally anisotropic in three directions…
Group I/II materials exhibit unexpected structural phase transitions at high pressures, providing potential insight into the origins of elemental superconductivity. We present here a computational study of elemental barium and binary…
The spin crossover properties and the domains of existence of the different phases for the [Fe(PM-BIA)2(NCS)2] complex are obtained from combining DFT and classical molecular dynamics (MD). The potential energy surfaces expressed in the…
The molecular phase of hydrogen converts to the atomic metallic phase at high pressures estimated usually as 300 - 500 GPa. We analyze the decay of metallic phase as the pressure is relieved below the transition one. The metallic state is…
The integration of NMR and high pressure technique brings unique opportunities to study electronic, structural and dynamical properties under extreme conditions. Despite a great degree of success has been achieved using coil-based schemes,…
We report experimental evidence for pressure instabilities in the model multiferroic BiFeO3 and namely reveal two structural phase transitions around 3 GPa and 10 GPa by using diffraction and far-infrared spectroscopy at a synchrotron…
Ferroelectric nematic liquid crystals represent not only interesting fundamental science, but they also hold promise for storage capacitors with high power density or new information display technology having sub-millisecond switching. In…
In a pressure-temperature (P-T) diagram for synthesizing IrTe2 compounds, the well-studied trigonal (H) phase with the CdI2-type structure is stable at low pressures. The superconducting cubic (C) phase can be synthesized under higher…
Percolation of carbon nanotubes (CNTs) in liquid crystals (LCs) opens way for a unique class of anisotropic hybrid materials with a complex dielectric constant widely controlled by CNT concentration. Percolation in such systems is commonly…