相关论文: Nonlinear phononics in Bi$_2$Te$_3$ nanoscale thin…
We measured phonon frequencies and linewidths in doped and undoped BaFe2As2 single crystals by inelastic x-ray scattering and compared our results with density functional theory (DFT) calculations. In agreement with previous work, the…
We investigate experimentally both the amplitude and phase channels of the collective modes in the quasi-1D charge-density-wave (CDW) system, K0.3MoO3, by combining (i) optical impulsive-Raman pump-probe and (ii) terahertz time-domain…
First-principles simulations of electronic properties of hybrid inorganic/organic interfaces are challenging, as common density-functional theory (DFT) approximations target specific material classes like bulk semiconductors or gas-phase…
Strong electron-phonon interaction which limits electronic mobility of semiconductors can also have significant effects on phonon frequencies. The latter is the key to the use of Raman spectroscopy for nondestructive characterization of…
We introduce a novel ultra-compact nanocapacitor of coherent phonons formed by high-finesse interference mirrors based on atomic-scale semiconductor metamaterials. Our molecular dynamics simulations show that the nanocapacitor stores THz…
Density functional theory (DFT) based ab-initio calculations of electronic, phononic, and superconducting properties of 1T MoS2 are reported. The phonon dispersions are computed within density-functional-perturbation-theory (DFPT). We have…
In bilayer CrI3, experimental and theoretical studies suggest that the magnetic order is closely related to the layer staking configuration. In this work, we study the effect of dynamical lattice distortions, induced by non-linear phonon…
Transition metal dichalcogenides (TMDs) are layered materials which show excellent potential for nanoelectronic and optoelectronic applications. However, as many of the exciting features of these materials are controlled by the anharmonic…
Upon impulsive optical excitation of solid-state materials, the non-equilibrium flow of energy from the excited electronic system to the lattice degrees of freedom typically happens in a few picoseconds. Here we identified the surface of…
The lattice dynamic properties and spin-phonon coupling in DyMn$_2$O$_5$ are studied by using the density-functional theory. The calculated phonon frequencies are in very good agreement with experiments. We then compare the phonon modes…
The mechanism of heat transfer and the contribution of electron-phonon coupling to thermal conductance of a metal-semiconductor interface remains unclear in the present literature. We report ab initio simulations of a technologically…
The coupling of the electron system to lattice vibrations and their time-dependent control and detection provides unique insight into the non-equilibrium physics of semiconductors. Here, we investigate the ultrafast transient response of…
In this study, we performed comprehensive investigations on the Raman active phonon modes in cubic bixbyite In$_2$O$_3$, an important oxide based, wide-bandgap semiconductor. Fundamental insights into the lattice dynamics are revealed, by…
We study the generation of coherent phonons in a superconductor by ultrafast optical pump pulses. The nonequilibrium dynamics of the coupled Bogoliubov quasiparticle-phonon system after excitation with the pump pulse is analyzed by means of…
We examine the nanoscale behavior of an equilibrium three-phase contact line in the presence of long-ranged intermolecular forces by employing a statistical mechanics of fluids approach, namely density functional theory (DFT) together with…
Raman spectroscopy is one of the most extended experimental techniques to investigate thin-layered 2D materials. For a complete understanding and modeling of the Raman spectrum of a novel 2D material, it is often necessary to combine the…
We show that phononic frequency conversion can be enhanced by orders of magnitude in piezoelectric systems by heterogeneous integration of high-mobility semiconductor films. A lithium niobate and indium gallium arsenide heterostructure is…
The spectral response and physical features of the 2D Hubbard-Holstein model are calculated both in equilibrium at zero and low chemical dopings, and after an ultra short powerful light pulse, in undoped systems. At equilibrium and at…
We formulate an ab initio downfolding scheme for electron-phonon coupled systems. In this scheme, we calculate partially renormalized phonon frequencies and electron-phonon coupling, which include the screening effects of high-energy…
Antiferromagnetic materials have been proposed as new types of narrowband THz spintronic devices owing to their ultrafast spin dynamics. Manipulating coherently their spin dynamics, however, remains a key challenge that is envisioned to be…