Dislocation plays a crucial role in many material properties of semiconductors, ranging from
plastic deformation to electronic transport. But the dislocation structures and reactions …

Utilizing ultrafast light-matter interaction to manipulate electronic states of quantum materials
is an emerging area of research in condensed matter physics. It has significant implications …

Interactions between light and matter allow the realization of out-of-equilibrium states in
quantum solids. In particular, nonlinear phononics is one of the most efficient approaches to …

Real-time time-dependent density functional theory (RT-TDDFT) is a powerful tool for
predicting excited-state dynamics. Herein, we combine the adaptively compressed …

Bismuth, with its rhombohedral crystalline structure and two Raman active phonon modes
corresponding to the internal displacement (A 1 g) and shear (E g) ionic motions, offers an …

We investigate the high-pressure phase diagram of Ti–Te system using first-principles
calculations combined with evolutionary crystal structure prediction. Given the isostructural …

Ultrafast photoexcitation offers a novel approach to manipulating quantum materials. One of
the long-standing goals in this field is to achieve optical control over topological properties …

Real-time time-dependent density-functional theory molecular dynamics (rt-TDDFT-MD)
reveals the nonadiabatic dynamics of the ultrafast photoinduced structural transition in a …

Coherent phonons, light-induced coherent lattice vibrations in solids, provide a powerful
route to engineer structural and electronic degrees of freedom using light. In this manuscript …

Abstract The topological Weyl semimetals (WSMs) with peculiar band structures exhibit
novel nonlinear optical enhancement phenomena, even for light at optical wavelengths …