Related papers: Lattice Dynamics of Solid Cubane within the Quasi-…
Cu2Se and Cu2S are excellent model systems of superionic conductors with large diffusion coefficients that have been reported to exhibit different solid-liquid-like Cu-ion diffusion. In this paper, we clarify the atomic dynamics of these…
The Holstein Hamiltonian describes fermions hopping on a lattice and interacting locally with dispersionless phonon degrees of freedom. In the low density limit, dressed quasiparticles, polarons and bipolarons, propagate with an effective…
Excursions far from their equilibrium structures can bring crystalline solids through collective transformations including transitions into new phases that may be transient or long-lived. Direct spectroscopic observation of…
While the realistically modeling of the thermodynamic behavior of fluids usually demands elaborated atomistic models, much have been learned from simplified ones. Here, we investigate a model where point-like particles (with activity $z_0$)…
Metal-organic frameworks (MOFs), which are self-assemblies of metal ions and organic ligands, provide a tunable platform to search a new state of matter. A two-dimensional (2D) perfect kagome lattice, whose geometrical frustration is a key…
Quasiparticle dynamics in relativistic plasmas associated with hot, weakly-coupled gauge theories (such as QCD at asymptotically high temperature $T$) can be described by an effective kinetic theory, valid on sufficiently large time and…
Understanding the coupling between structural phase transitions and thermal transport is essential for designing functional materials with tunable properties. Here, we investigate this interplay in CaSnF$_6$ by combining first-principles…
We investigate detailed lattice dynamics of copper halides CuX (X=Cl, Br, I) using neutron inelastic scattering measurements and ab-initio calculations aimed at a comparative study of their thermal expansion behavior. We identify the low…
The paper presents an analysis of mechanical, structural, thermophysical and spectral properties of solid methane in temperature interval $0.5T_{tr} -T_{tr}$ ($T_{tr}$ is the triple point temperature) under equilibrium vapor pressure. It is…
Superconductivity in organic conductors is often tuned by the application of chemical or external pressure. With this type of tuning, orbital overlaps and electronic bandwidths are manipulated, whilst the properties of the molecular…
The elasticity, dynamic properties, and superconductivity of $\alpha$, $\omega$, and $\beta$ Zr are investigated by using first-principles methods. Our calculated elastic constants, elastic moduli, and Debye temperatures of $\alpha$ and…
CuTe is a two-dimensional (2D) layered material, yet forming a quasi-one-dimensional (quasi-1D) charge-density-wave (CDW) along the a-axis in the ab-plane at high transition temperature $T_{CDW}=335$ K. However, the anisotropic properties…
The intermolecular lattice vibrations in small-molecule organic semiconductors have a strong impact on their functional properties. Existing models treat the lattice vibrations within the harmonic approximation. In this work, we use…
We report bulk ultrasound measurements up to 80 T and down to 0.5 K of the field re-entrant superconducting phase of the unconventional superconductor UTe$_2$. Clear bulk signatures of superconductivity are observed in the longitudinal…
The strength of the electron-phonon coupling parameter and its evolution throughout a solid's phase diagram often determines phenomena such as superconductivity, charge- and spin-density waves. Its experimental determination relies on the…
We compute the critical temperature $T_c$ for the deconfinement transition of pure QCD on coarse lattices, with $N_t = 2, 3, 4$, and lattice spacings from .33 fm to .15 fm. We employ a perturbatively improved gluon action designed to remove…
The global phase behavior of the lattice restricted primitive model with nearest neighbor exclusion has been studied by grand canonical Monte Carlo simulations. The phase diagram is dominated by a fluid (or charge-disordered solid) to…
The soft modes associated with continuous-order phase transitions are associated with strong anharmonicity. This leads to the overdamped limit where the phonon quasi-particle picture can breakdown. However, this limit is commonly restricted…
1$T$-TaSe$_2$ is a prototypical charge density wave (CDW) material for which electron-phonon coupling and associated lattice distortion play an important role in driving and stabilizing the CDW phase. Here, we investigate the lattice…
We argue that although at asymptotically high temperatures the QGP in bulk behaves as a gas of weakly interacting quasiparticles (modulo long-range magnetism), at temperatures up to few times the critical temperature $T_c$ it displays…