相关论文: Strong Pressure Dependent Electron-Phonon Coupling…

Extensive inelastic neutron scattering measurements of phonons on a single crystal of CaFe2As2 allowed us to establish a fairly complete picture of phonon dispersions in the main symmetry directions. The phonon spectra were also calculated…

The coupling of phonons with collective modes and single-particle gap excitations associated with one (1d) and two-directional (2d) electronically-driven charge-density wave (CDW) ordering in metallic RTe_3 is investigated as a function of…

The properties of the d-wave superconducting state in the two-dimensional system have been studied. It has been assumed, that the pairing mechanism is based on the electron-phonon and the electron-electron-phonon interactions. The obtained…

Systematically studying the crystal, magnetic, and electronic structures of PuGa3 with density functional theory (DFT) reveals the entanglement of the three types of structure. Magnetic structure affects the energy more strongly than…

First principle band calculations based on local versions of density functional theory (DFT), together with results from nearly free-electron models, can describe many typical but unusual properties of the high-$T_C$ copper oxides. The…

The effect of pressure on the zone-center optical phonon modes and the elastic properties of hafnium has been studied by both experimental (Raman scattering) and theoretical (DFT) approaches. It was found an anomaly dependence of the phonon…

We employ cluster extension of dynamical mean-field theory (CDMFT) to systematically investigate the impact of double counting corrections on the correlated electronic structure of ${\rm La_3Ni_2O_7}$ under ambient pressure. By adjusting…

The discovery of a charge density wave in FeGe extends the discussion of the nature of charge order in kagome metals to a magnetic compound. Motivated by this observation, we combine density functional theory (DFT) and…

A system of soft ellipsoid molecules confined between two planar walls is studied using classical Density Functional Theory (DFT). Both the isotropic and nematic phases are considered. The excess free energy is evaluated using two different…

Dynamic density functional theory (DDFT) is a promising approach for predicting the structural evolution of a drying suspension containing one or more types of colloidal particles. The assumed free-energy functional is a key component of…

Superconducting transition under pressure ($P$) has been investigated for optimum-doped $R$FeAsO$_{\rm 1-x}$F$_{\rm x}$ ($R$=La, Ce$-$Sm) by dc magnetization measurements. For $R$=La, $T_{\rm c}$ is found to be pressure independent up to…

We report high-resolution inelastic x-ray measurements of the soft phonon mode in the charge-density-wave compound TiSe$_2$. We observe a complete softening of a transverse optic phonon at the L point, i.e. q = (0.5, 0, 0.5), at T ~…

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…

The stability of high-pressure phases of P has been studied using density functional theory and the local density approximation. Using a linear response technique, we have calculated the phonon spectrum and electron-phonon interaction for…

The cornerstone of time-dependent (TD) density functional theory (DFT), the Runge-Gross theorem, proves a one-to-one correspondence between TD potentials and TD densities of continuum Hamiltonians. In all practical implementations, however,…

In this paper, we studied the static dielectric function and interaction potential in strong coupling limit with AdS/CFT correspondence. The dielectric function is depressed compared with that in weak coupling. The interaction potential…

We use a first-principles based self-consistent momentum-resolved density fluctuation (MRDF) model to compute the combined effects of electron-electron and electron-phonon interactions to describe the superconducting dome in the correlated…

The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…

One dimensional fluid/electron Monte Carlo simulations of capacitively coupled Ar/O2 discharges driven by sawtooth up voltage waveforms are performed as a function of the number of consecutive harmonics driving frequencies of 13.56 MHz, N…

The superconducting transition of FeSe$_{1-x}$S$_x$ with three distinct sulphur concentrations $x$ was studied under hydrostatic pressure up to $\sim$70 kbar via bulk AC susceptibility. The pressure dependence of the superconducting…