相关论文: Phonon line shape in disordered A3C60 (A= K, Rb)

We develop an ab initio framework that captures the impact of electron-electron and electron-hole interactions on phonon properties. This enables the inclusion of excitonic effects in the optical phonon dispersions and lifetimes of…

The optical conductivity spectra of the rattling phonons in the clathrate Ba$_8$Ga$_{16}$Ge$_{30}$ are investigated in detail by use of the terahertz time-domain spectroscopy. The experiment has revealed that the lowest-lying vibrational…

We present a computational study of the phonon linewidths in twisted bilayer graphene arising from electron-phonon interactions and anharmonic effects. The electronic structure is calculated using distance-dependent transfer integrals based…

Determining the electron neutrino mass by electron capture in $^{163}$Ho relies on an accurate understanding of the differential electron capture nuclear decay rate as a function of the distribution of the total decay energy between the…

We report on Raman scattering experiments of the undoped SrFe2As2 and superconducting Sr0.85K0.15Fe2As2 (Tc=28K) and Ba0.72K0.28Fe2As2 (Tc=32K) single crystals. The frequency and linewidth of the B1g mode at 210 cm-1 exhibits an appreciable…

In the recent years many researches were performed about graphene. Graphene is always considered a half metal or a zero gap semiconductor. In the last year new experiments were done about graphene on boron nitride and they obtained an…

The electric dipole forbidden T_1g excitonic state of solid C_60 at omega=1.81 eV can be probed with a Second-Harmonic Generation (SHG) experiment. We show that the SHG line shape depends strongly on the degree of rotational order. We…

We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group $I4_1/amd$, which is predicted to be its first atomic phase. Our calculations show a band…

We consider a model Hamiltonian fitted on the ab-initio band structure to describe the electron-phonon coupling between the electronic $\sigma-$bands and the phonon E$_{2g}$ mode in MgB$_2$. The model allows for analytical calculations and…

Hexagonal boron nitride (hBN), having an in-plane hexagonal structure in the sp2 arrangement of atoms, proclaims structural similarity with graphene with only a small lattice mismatch. Despite having nearly identical atomic arrangements and…

We calculate the double resonant (DR) Raman spectrum of graphene, and determine the lines associated to both phonon-defect processes, and two-phonons ones. Phonon and electronic dispersions reproduce calculations based on density functional…

We propose a harmonic linear response (HLR) method to calculate the phonon dispersion relations of two-dimensional (2D) layers from equilibrium simulations at finite temperature. This HLR approach is based on the linear response of the…

Raman spectra obtained by the inelastic scattering of light by crystalline solids contain contributions from first-order vibrational processes (e.g. the emission or absorption of one phonon, a quantum of vibration) as well as higher-order…

We consider electron(hole)-phonon coupling in crystalline organic semiconductors, using naphthalene for our case study. Employing a first-principles approach, we compute the changes in the self-consistent Kohn-Sham potential corresponding…

We perform Raman scattering experiments on natural graphite in magnetic fields up to 45 T, observing a series of peaks due to interband electronic excitations over a much broader magnetic field range than previously reported. We also…

Electron scattering rates in metallic single-walled carbon nanotubes are studied using an atomic force microscope as an electrical probe. From the scaling of the resistance of the same nanotube with length in the low and high bias regimes,…

We performed temperature- and doping-dependent high-resolution Raman spectroscopy experiments on YBa$_2$Cu$_3$O$_{7-\delta}$ to study $B$$_{\rm 1g}$ phonons. The temperature dependence of the real part of the phonon self-energy shows a…

In recent studies, it has been discovered that phonons can carry angular momentum, leading to a series of investigations into systems with 3-fold rotation symmetry. However, for systems with 2-fold screw rotational symmetry, such as…

Recent advances in strain engineering at the nanoscale have shown the feasibility to modulate the properties of graphene. Although the electron-phonon (e-ph) coupling and Kohn anomalies in graphene define the phonon branches contributing to…

We obtain analytical expressions for the electron self-energy and the electron-phonon coupling in electron-doped graphene using electron-phonon matrix elements extracted from density functional theory simulations. From the electron…