相关论文: High Temperature Raman analysis of Hydrogen Phase …

In this article, we estimate hydrostatic stress developed in gallium ion implanted gallium nitride epitaxial layers using Raman measurements. We have calculated deformation potential constants for $E_2$(high) mode in these epi-layers. The…

Being the simplest element with just one electron and proton the electronic structure of the Hydrogen atom is known exactly. However, this does not hold for the complex interplay between them in a solid and in particular not at high…

Room-temperature Raman scattering has been measured in barium tungstate (BaWO4) up to 16 GPa. We report the pressure dependence of all the Raman-active first-order phonons of the tetragonal scheelite phase (BaWO4-I, space group I41/a),…

By performing constant-pressure variable-cell ab initio molecular dynamics simulations we find a quadrupolar orthorhombic structure, of $Pca2_1$ symmetry, for the broken symmetry phase (phase II) of solid H2 at T=0 and P =110 - 150 GPa. We…

We study the zero-temperature phase diagram of two-dimensional helium-4 using neural quantum states. Our variational description allows us to address liquid and solid phases using the same functional form as well as exploring possible…

Pressure-dependent Raman scattering studies in the range 0.0 -- 32 kbar were carried out in L-alanine in order to investigate its external mode phonon spectra in relation to the phase transitions in the crystal. A careful analysis of the…

Raman spectroscopy is one of the widely used methods in the analysis of various samples including carbon-based materials. This study aimed to identify the number of layers and defects in graphene using micro-Raman spectroscopy. More…

The superconducting pyrochlore oxide Cd2Re2O7 (Tc = 1 K), which is now considered as a candidate of the spin-orbit-coupled metal, shows an inversion-symmetry-breaking structural transition at Ts1 = 200 K. Ts1 decreases with increasing…

Benchmark-quality rovibrational data are reported for the methane dimer from variational nuclear motion computations using an ab initio intermolecular potential energy surface reported by [M. P. Metz et al., Phys. Chem. Chem. Phys., 2019,…

We introduce an efficient scheme for the molecular dynamics of electronic systems by means of quantum Monte Carlo. The evaluation of the (Born-Oppenheimer) forces acting on the ionic positions is achieved by two main ingredients: i) the…

Results of X-ray diffraction experiments on solid oxygen at low temperature and at pressures up to 10 GPa are presented.A careful sample preparation and annealing around 240 K allowed to obtain very good diffraction patterns in the…

A Raman profiling method is used to monitor growth of GexSe100-x melts and reveals a two step process of homogenization. Resulting homogeneous glasses show the non-reversing enthalpy at Tg, {\Delta}Hnr(x), to show a square-well like…

Investigating properties of phase change materials (PCMs) is an important issue due to their extensive use in heat storage systems and thermal regulation devices. Improvement of the efficiency of such systems should be based on a better…

Gas hydrates are considered fundamental building blocks of giant icy planets like Neptune and similar exoplanets. The existence of these materials in the interiors of giant icy planets, which are subject to high pressures and temperatures,…

A Raman scattering spectroscopy study is reported through all four phases of a (K0.5Na0.5)NbO3 crystal and ((K0.5Na0.5)1-xLix)NbO3 for x=0.02 and 0.03. The transitions among the ferroelectric phases in the Li-free crystal are homogeneous…

A new analysis technique for the inference of degree of dissociation of weakly collisional hydrogen plasmas was developed and tested with an experiment. Neutrals in low temperature plasmas are critical to a wide range of plasma-based…

Understanding hydrogen-grain boundary (GB) interactions is critical to the analysis of hydrogen embrittlement in metals. This work presents a mesoscale fully kinetic model to investigate the effect of GB misorientation on hydrogen diffusion…

The high-pressure behavior of monoclinic VO$_2$ is revisited by a combination of Raman spectroscopy and X-ray diffraction on a single crystal under hydrostatic conditions at room temperature. A soft mode is observed up to P$_c$ = 13.9(1)…

We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction. We reveal a rich sequence of structural transformations,…

We investigated the low-frequency Raman spectra of freestanding few-layer graphene (FLG) at varying temperatures (400 - 900 K) controlled by laser heating. At high temperature, we observed the fundamental Raman mode for the lowest-frequency…