Related papers: Effective Phonon Dispersion of $\beta$- (Al$_x$Ga$…
We report measurements of phonon dispersion in CaC$_6$ using inelastic X-ray and neutron scattering. We find good overall agreement, particularly in the 50 meV energy region, between experimental data and first-principles…
The dispersion of phonons in Ba1-xKxBiO3 along the (3+q, 0, 0) direction in reciprocal space was determined for x=0, 0.30, 0.37, 0.52 using high-resolution inelastic X-ray scattering. The observed phonon energies near \Gamma were in good…
We compute electron-phonon coupling (EPC) of selected phonon modes in graphene and graphite using various ab-initio methods. The inclusion of non-local exchange-correlation effects within the GW approach strongly renormalizes the square EPC…
Spectral distribution functions of electron-phonon interaction $\alpha^2F(\omega )$ obtained by ab initio linear--response calculations are used to describe various superconducting and transport properties in a number of elemental metals…
The spectral energy density (SED) method is used to obtain the phonon dispersion of materials in molecular dynamics codes, e.g., LAMMPS. We show how the electric analog of the SED method can be done using commercial circuit simulators to…
The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized near the interface. These interface phonons play an essential role in thermal/electrical transport properties in devices…
Superconducting transition temperature $T_C$ of some of the cubic $\beta$-phase Mo$_{1-x}$Re$_x$ alloys with x > 0.10 is an order of magnitude higher than that in the elements Mo and Re. We investigate this rather enigmatic issue of the…
Cubic boron arsenide (BAs) is a promising semiconductor for next-generation electronics due to its outstanding ambipolar mobility and thermal conductivity, the latter of which is attributed to the suppression of three-phonon scattering.…
We outline a procedure for obtaining the electron-phonon spectral density by inversion of optical conductivity data, a process very similar in spirit to the McMillan-Rowell inversion of tunelling data. We assume both electron-impurity…
The experimentally observed order-of-magnitude reduction in the thermal conductivity along the growth axis of (GaAs)_n/(AlAs)_n (or n x n) superlattices is investigated theoretically for (2x2), (3x3) and (6x6) structures using an accurate…
Phonon drag may be harnessed for thermoelectric generators and devices. Here, we demonstrate the geometric control of the phonon-drag contribution to the thermopower. In nanometer-thin electrically conducting $\beta$-Ga$_2$O$_3$ films…
An effective-medium theory (EMT) is developed to predict the effective permittivity \epsilon_eff of dense random dispersions of high optical-conductivity metals such as Ag, Au and Cu. Dependence of \epsilon_eff on the volume fraction \phi,…
Motivated by the observation in copper-oxide high-temperature superconductors, we investigate the appearance of kinks in the electronic dispersion due to coupling to phonons for a system with strong electronic repulsion. We study a Hubbard…
We theoretically and numerically present the hybrid phonon modes for the double heterostructure GaAs/AlxGa1-xAs and their interactions with electrons. More specifically, we have calculated the electron capture within a symmetric quantum…
Single phonon excitations, with energies in the $1-100 \, \text{meV}$ range, are a powerful probe of light dark matter (DM). Utilizing effective field theory, we derive a framework to compute DM absorption rates into single phonons starting…
Density functional perturbation theory is used to analyze electron-phonon interaction in bilayer graphene. The results show that phonon scattering in bilayer graphene bears more resemblance with bulk graphite than monolayer graphene. In…
We report high-resolution inelastic x-ray scattering measurements of the acoustic phonons in the single-layer cuprate $Bi_{2}Sr_{2-x)La_{x}CuO_{6+\delta}$. These measurements reveal anomalous broadening of the longitudinal acoustic phonon…
Supercells are often used in ab initio calculations to model compound alloys, surfaces and defects. One of the main challenges of supercell electronic structure calculations is to recover the Bloch character of electronic eigenstates…
In this study a method for calculation of the electron-phonon scattering rate in semiconductor structures with one-dimensional electron gas is developed. The energy uncertainty of electrons is taken into account.
Electron-phonon coupling (EPC) is key for understanding many properties of materials such as superconductivity and electric resistivity. Although first principles density-functional-theory (DFT) based EPC calculations are used widely, their…