Related papers: Ab-initio Phonon Calculations for the layered comp…
Electron-phonon interactions are of great importance to a variety of physical phenomena, and their accurate description is an important goal for first-principles calculations. Isolated examples of materials and molecular systems have…
We report time- and angle-resolved photoemission spectroscopy measurements on the topological insulator Bi2Se3. We observe oscillatory modulations of the electronic structure of both the bulk and surface states at a frequency of 2.23 THz…
To effectively regulate thermal transport for the near-junction thermal management of GaN electronics, it is imperative to gain an understanding of the phonon characteristics of GaN nanostructures, particularly the topological phonon…
We have performed polarized Raman scattering measurements on the newly discovered superconductor Ta$_{4}$Pd$_{3}$Te$_{16}$ ($T_c = 4.6$ K). We observe twenty-eight out of thirty-three Raman active modes, with frequencies in good accordance…
Photoemission and phonon spectroscopies have yielded widely varying estimates of the electron-phonon coupling constant \lambda\ on the surfaces of topological insulators, even for a particular material and technique. We connect the results…
An optimized phonon approach for the numerical diagonalization of interacting electron-phonon systems is proposed. The variational method is based on an expansion in coherent states that leads to a dramatic truncation in the phonon space.…
Recent theory has predicted large temperature differences between the in-plane (LA and TA) and out-of-plane (ZA) acoustic phonon baths in locally-heated suspended graphene. To verify these predictions, and their implications for…
We perform ab initio electronic structure calculations of the intermetallic compound CeFeGe3 by means of the Tight Binding Linear Muffin-Tin Orbitals-Atomic Sphere Approximation (TB-LMTO-ASA) within the Local Spin Density Approximation…
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…
The number of absorption and Raman optical modes for each Wyckoff orbit in the high-temperature tetragonal (I4/mmm) parent lattice of the Ruddlesden-Popper compounds Ca$_3$X$_2$O$_7$, with X=Mn or X=Ti is given. We analyze the effect of…
We report density functional calculations based on local density approximation (LDA) of the properties of doped barium bismuthates. Using linear-response approach developed in the framework of the linear muffin-tin-orbital method the phonon…
We present a comprehensive multiphonon Raman and complementary infrared analysis for bulk and monolayer MoS2.For the bulk the analysis consists of symmetry assignment from which we obtain a broad set of allowed second order transitions at…
The frequencies of transverse-optical $\Gamma$ phonons in KNbO$_3$ and KTaO$_3$ are calculated in the frozen-phonon scheme making use of the full-potential linearized muffin-tin orbital method. The calculated frequencies in the cubic phase…
We report ab-initio calculations of the phonon dispersion relations of the single-layer and bulk dichalcogenides MoS2 and WS2. We explore in detail the behavior of the Raman active modes, A1g and E2g as a function of the number of layers.…
The study of phonon coupling in doped semiconductors via electrical transport measurements is challenging due to unwanted temperature-induced effects such as dopant ionisation and parallel conduction. Here, we study phonon scattering in 2D…
We investigate the behavior of phonons at the epitaxial interface between YBa2Cu3O7-{\delta} thin film and (La,Sr)(Al,Ta)O3 substrate using vibrational electron energy loss spectroscopy. Interfacial phonon modes with different degrees of…
Multipole electron modes beyond the Mie plasmon in atomic clusters are investigated within the time-dependent local density approximation theory (TDLDA). We consider the origin of the modes, their connection with basic cluster properties…
We study the half-breathing phonon in the three-band model of a high temperature superconductor, allowing for vibrations of atoms and resulting changes of hopping parameters. Two different approaches are compared. From the three-band model…
The phonon-mode decomposition of the electron-phonon coupling in the MgB2-like system Li_{1-x}BC is explored using first principles calculations. It is found that the high temperature superconductivity of such systems results from extremely…
In this contribution we assess the performance of two different exchange-correlation functionals in the first-principle prediction of the lattice thermal conductivity of bulk semiconductors, namely the local density approximation (LDA) and…