相关论文: Electron dynamics in a three-dimensional Brillouin…
We explore photo-electron spectra (PES) and photo-electron angular distributions (PAD) of C$_{60}$ with time-dependent density functional theory (TDDFT) in real time. To simulate experiments in gas phase, we consider isotropic ensembles of…
Following the intense studies on topological insulators, significant efforts have recently been devoted to the search for gapless topological systems. These materials not only broaden the topological classification of matter but also…
We present multi-configuration Breit-Pauli AUTOSTRUCTURE calculations of distorted-wave photoionization (PI) cross sections, and total and partial final-state resolved radiative recombination (RR) and dielectronic recombination (DR) rate…
We study the electronic structure of the ferromagnetic spinel $\mathrm{Hg}\mathrm{Cr}_2\mathrm{Se}_4$ by soft-x-ray angle-resolved photoemission spectroscopy (SX-ARPES) and first-principles calculations. While a theoretical study has…
Measuring the delay for an electron to emerge from different states is one of the major achievements of attosecond science. This delay can have two origins - the electron wave packet is reshaped during departure by the electrostatic field…
The low-energy effective description of Weyl semimetals is defined by the axion electrodynamics, which captures the effects arising due to the presence of nodes of opposite chirality in the electronic structure. Here we explore the…
We propose machine learning (ML) models to predict the electron density -- the fundamental unknown of a material's ground state -- across the composition space of concentrated alloys. From this, other physical properties can be inferred,…
The multiple crystalline terminations in magnetic Weyl semimetal Co$_3$Sn$_2$S$_2$ display distinct topological and trivial surface states, which have successfully been distinguished experimentally. However, a model of pure terminations is…
Oscillatory signals from coherently excited phonons are regularly observed in ultrafast pump-probe experiments on condensed matter samples. Electron-phonon coupling implies that coherent phonons also modulate the electronic band structure.…
Weyl semimetal is a solid material with isolated touching points between conduction and valence bands in its Brillouin zone -- Weyl points. Low energy excitations near these points exhibit a linear dispersion and act as relativistic…
The simulation of non-equilibrium electron distributions is essential for capturing light-metal interactions and therefore the study of photoabsorption, photocatalysis, laser ablation, and many other phenomena. Current methodologies, such…
Measurements of spin dynamics of electrons in a degenerate two dimensional electron gas, where the Dyakonov-Perel mechanism is dominant, have been used to investigate the electron scattering time (tp*) as a function of energy near the Fermi…
We theoretically study how time- and angle-resolved photoemission spectroscopy can be applied for imaging coherent electron dynamics in molecules. We consider a process in which a pump pulse triggers coherent electronic dynamics in a…
We develop a simulation procedure for angle-resolved photoemission spectroscopy (ARPES), where a photoelectron wave function is set to be an outgoing plane wave in a vacuum associated with the emitted photoelectron wave packet. ARPES…
We analyze Photo-Electron Spectra (PES) for a variety of excitation mechanisms from a simple mono-frequency laser pulse to involved combination of pulses as used, e.g., in attosecond experiments. In the case of simple pulses, the peaks in…
The electronic and nuclear dynamics in methanol, following 156~nm photoexcitation, are investigated by combining a detailed analysis of time-resolved photoelectron spectroscopy experiments with electronic structure calculations. The…
Broadband, efficient and fast conversion of light to electricity is crucial for sensing and clean energy. Here we reveal the largest observed bulk photo-voltaic effect (BPVE), an intrinsic mechanism predicted to be ultrafast and exceed the…
We have performed an angle-resolved photoemission spectroscopy (ARPES) study of the undoped and electron-doped iron pnictides BaFe2\_{-x}CoxAs2 (Ba122) (x=0, 0.14) and studied the Fermi surfaces (FSs) and band dispersions near the Fermi…
Landau-level spectroscopy, the optical analysis of electrons in materials subject to a strong magnetic field, is a versatile probe of the electronic band structure and has been successfully used in the identification of novel states of…
We analyze the effects of electron-electron and electron-phonon interactions in the dynamics of a system of two or three electrons that can be trapped to a localized state and detrapped to ab extended band states of a quantum dot using a…