相关论文: Solid molecular hydrogen: The Broken Symmetry Phas…
A density oscillator is a fluid system in which oscillatory flow occurs between different density fluids through the pore connecting them. We investigate the synchronization in coupled density oscillators using two-dimensional hydrodynamic…
We study molecular para-hydrogen (p-${\rm H_{2}}$) and ortho-deuterium (o-${\rm D_{2}}$) in two dimensions and in the limit of zero temperature by means of the diffusion Monte Carlo method. We report energetic and structural properties of…
Hexagonal lattice systems (e.g. triangular, honeycomb, kagome) possess a multidimensional irreducible representation corresponding to $d_{x^2-y^2}$ and $d_{xy}$ symmetry. Consequently, various unconventional phases that combine these…
We report first-principles calculations of the frequency dependent linear and second-order optical properties of the two probable extended-solid phases of CO$_2$--V, i.e. $I\bar42d$ and $P2_12_12_1$. Compared to the parent $Cmca$ phase the…
We deal with the reduced four-equation model for the dynamics of heterogeneous compressible binary mixtures with the stiffened gas equations of state. We study its further reduced form, with the excluded volume concentrations, and with a…
Using first-principles density functional theory calculations, we investigate a family of stable two-dimensional crystals with chemical formula $A_2B_2$, where $A$ and $B$ belong to groups IV and V, respectively ($A$ = C, Si, Ge, Sn, Pb;…
We study the electroweak phase transition by lattice simulations of an effective 3-dimensional theory, for a Higgs mass of about $35 GeV$. In the broken symmetry phase our results on masses and the Higgs condensate are consistent with…
We study a hole-doped two-leg ladder system including metal ions, oxygen, and electron-lattice interaction, as a model for Sr_{14-x}Ca_xCu_{24}O_{41-\delta}. Single- and bi-polaronic states at 1/4-hole doping are modeled as functions of…
The interplay between electron correlation and nuclear quantum effects makes our understanding of elemental hydrogen a formidable challenge. Here, we present the phase diagram of hydrogen and deuterium at low temperatures and high-pressure…
The coherent lattice vibrations significantly impact physical and chemical processes in solids, such as heat transfer, displacive phase transitions, and thermal conductivity. Thus, probing lattice dynamics in real-space and real-time is…
We perform electronic structure calculations for a set of molecules with degenerate spin-dependent ground states ($^3$CH$_2$, $^2$CH$_3^{\bullet}$, $^3$O$_2$) going beyond the Born-Oppenheimer approximation and accounting for nuclear…
We have performed high-resolution inelastic neutron scattering studies on three samples of hydrogenated tetrahydrofuran-water clathrates, containing either H2 at different para/ortho concentrtion, or HD. By a refined analysis of the data,…
We identify an intriguing feature of the electron-vibrational dynamics of molecular systems via a computational examination of \emph{trans}-polyacetylene oligomers. Here, via the vibronic interactions, the decay of an electron in the…
We introduce two- and one-dimensional (2D and 1D) systems of two linearly-coupled Gross-Pitaevskii equations (GPEs) with the cubic self-attraction and harmonic-oscillator (HO) trapping potential in each GPE. The system models a…
Many systems, including polymers and molecular liquids, when adequately cooled and/or compressed, solidify into a disordered solid, i.e., a glass. The~transition is not abrupt, featuring progressive decrease of the microscopic mobility and…
We report here a study of reversible pressure-induced structural transformation between two amorphous forms of SO$_2$: molecular at pressures below 26 GPa and polymeric above this pressure, at temperatures of 77 - 300 K. The transformation…
We study spontaneous symmetry breaking in a system of spinless fermions in the Honeycomb lattice paying special emphasis to the role of an enlarged unit cell on time reversal symmetry broken phases. We use a tight binding model with nearest…
Motivated by the search for quantum liquid crystal phases in a gas of ultracold atoms and molecules, we study the density wave and nematic instabilities of dipolar fermions on the two-dimensional square lattice (in the $x-y$ plane) with…
We show that a vibrational interpretation and good U(5) symmetry are maintained for the majority of low-lying normal states in $^{110,112,114,116}$Cd isotopes, consistent with the empirical data. The observed deviations from this paradigm…
A combination of state-of-the-art theoretical methods has been used to obtain an atomic-level picture of classical and quantum ordering of protons in cold high-pressure solid hydro-gen. We focus mostly on phases II and III of hydrogen,…