Related papers: Ab initio determination of effective electron-phon…
The temperature dependence of peak widths in high resolution angle-resolved photoelectron spectroscopy from quantum well states in ultra thin Ag films on V(100) has been used to determine the electron-phonon coupling constant, lambda, for…
Based on the framework of Kubo formulism, we develop the minimally entangled typical thermal state algorithm to study the temperature and time dependence of current-current correlation function in one-dimensional spinless fermion model,…
Effective models are derived from the ferromagnetic Kondo lattice model with classical corespins, which greatly reduce the numerical effort. Results for these models are presented. They indicate that double exchange gives the correct order…
We present new analytic continuation results for the dynamic structure factor $S(\mathbf{q},\omega)$ of the uniform electron liquid based on quasi-exact \emph{ab initio} path integral Monte Carlo (PIMC) data for the imaginary-time…
Electron-phonon coupling is a fundamental process that governs the energy relaxation dynamics of solids excited by ultrafast laser pulses. It has been found to strongly depend on electron temperature as well as on nonequilibrium effects.…
Phonons, quantized vibrations of the atomic lattice, are fundamental to understanding thermal transport, structural stability, and phase behavior in crystalline solids. Despite advances in computational materials science, most predictions…
The role of the crystal lattice for the electronic properties of cuprates and other high-temperature superconductors remains controversial despite decades of theoretical and experimental efforts. While the paradigm of strong electronic…
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…
By means of first principles calculations, we computed the effective electron-phonon coupling constant $G_0$ governing the electron cooling in photoexcited bismuth. $G_0$ strongly increases as a function of electron temperature, which can…
We investigate the influence of the Jahn-Teller distortion and a direct antiferromagnetic moment coupling as extensions to a two-band Kondo lattice model for the magnetic and electronic properties of manganites. Those are calculated…
We present a high energy-resolution inelastic x-ray scattering investigation of the soft phonon mode in the charge-density-wave system TbTe$_3$. We analyze our data based on lattice dynamical calculations using…
The polaron features due to electron-phonon interactions with different coupling ranges are investigated by adopting a variational approach. The ground-state energy, the spectral weight, the average kinetic energy, the mean number of…
We investigate the existence of several (anti-)ferromagnetic phases in the diluted ferromagnetic Kondo-lattice model, i.e. ferromagnetic coupling of local moment and electron spin. To do this we use a coherent potential approximation (CPA)…
The temperature evolution of GdFeCo electrons following optical heating plays a key role in all optical switching of GdFeCo and is primarily governed by the strength of coupling between electrons and phonons. Typically, the strength of…
In the presence of Joule heating, the electronic temperature in a metallic resistor placed at sub-Kelvin temperatures can significantly exceed the phonon temperature. Electron cooling proceeds mainly through two processes: electronic…
We have developed a thorough and accurate method of determining anharmonic free energies, the temperature dependent effective potential technique (TDEP). It is based on \emph{ab initio} molecular dynamics followed by a mapping onto a model…
The crystal structure and lattice phonons of (BEDT-TTF)_2I_3 superconducting \beta-phase are computed and analyzed by the Quasi Harmonic Lattice Dynamics (QHLD) method. Whereas the crystal structure and its temperature and pressure…
The mechanisms for strong electron-phonon coupling predicted for hydrogen-rich alloys with high superconducting critical temperature ($T_c$) are examined within the Migdal-Eliashberg theory. Analysis of the functional derivative of $T_c$…
The lattice thermal conductivity ($\kappa$) of two ceramic materials, cerium dioxide (CeO$_2$) and magnesium oxide (MgO), is computed up to 1500 K using first principles and the phonon Boltzmann Transport Equation (PBTE) and compared to…
Recent experimental results: (i) the measurement of the $T \ln T$ specific heat in cuprates and the earlier such results in some heavy fermion compounds, (ii) the measurement of the single-particle scattering rates, (iii) the density…