Algorithm advances and applications of time‐dependent first‐principles simulations for ultrafast dynamics

WH Liu, Z Wang, ZH Chen, JW Luo… - Wiley …, 2022 - Wiley Online Library
Far from equilibrium phenomenon is a central theme of contemporary material research.
Such phenomenon can exhibit itself in atomic structure and dynamics, but very often it also …

Cascaded multicycle terahertz-driven ultrafast electron acceleration and manipulation

D Zhang, M Fakhari, H Cankaya, AL Calendron… - Physical Review X, 2020 - APS
Terahertz (THz)-based electron acceleration and manipulation has recently been shown to
be feasible and to hold tremendous promise as a technology for the development of next …

Photoinduced Nonvolatile Displacive Transformation and Optical Switching in MnTe Semiconductors

S Mori, H Tanimura, T Ichitsubo… - ACS applied materials & …, 2023 - ACS Publications
MnTe is considered a promising candidate for next-generation phase change materials
owing to the reversible and nonvolatile phase transformation between its α and β'phases by …

Inverse Design of Light Manipulating Structural Phase Transition in Solids

W Liu, H Liu, Z Wang, S Li, L Wang… - The Journal of Physical …, 2023 - ACS Publications
This Perspective focuses on recent advances in understanding ultrafast processes involved
in photoinduced structural phase transitions and proposes a strategy for precise …

Externally-triggerable optical pump-probe scanning tunneling microscopy with a time resolution of tens-picosecond

K Iwaya, M Yokota, H Hanada, H Mogi, S Yoshida… - Scientific reports, 2023 - nature.com
Photoinduced carrier dynamics of nanostructures play a crucial role in developing novel
functionalities in advanced materials. Optical pump-probe scanning tunneling microscopy …

Unifying the order and disorder dynamics in photoexcited VO2

HW Liu, WH Liu, ZJ Suo, Z Wang… - Proceedings of the …, 2022 - National Acad Sciences
Photoinduced phase transition (PIPT) is always treated as a coherent process, but ultrafast
disordering in PIPT is observed in recent experiments. Utilizing the real-time time-dependent …

Chemical bonding and Born charge in 1T-HfS2

SN Neal, S Li, T Birol, JL Musfeldt - npj 2D Materials and Applications, 2021 - nature.com
We combine infrared absorption and Raman scattering spectroscopies to explore the
properties of the heavy transition metal dichalcogenide 1T-HfS2. We employ the LO–TO …

Metal–metal bonding, electronic excitations, and strong resonance Raman effect in 2D layered α-MoCl3

S Schiemenz, S Froeschke, M Naumann… - 2D …, 2023 - iopscience.iop.org
Covalent bonding between transition metal atoms is a common phenomenon in honeycomb
lattices of layered materials, which strongly affects their electronic and magnetic properties …

[HTML][HTML] On the progress of ultrafast time-resolved THz scanning tunneling microscopy

T Tachizaki, K Hayashi, Y Kanemitsu, H Hirori - APL Materials, 2021 - pubs.aip.org
Scanning tunneling microscopy combined with terahertz (THz) electromagnetic pulses and
its related technologies have developed remarkably. This technology has atomic-level …

Influence of discrete defects on observed acoustic–phonon dynamics in layered materials probed with ultrafast electron microscopy

SA Reisbick, Y Zhang, DJ Flannigan - The Journal of Physical …, 2020 - ACS Publications
The structural anisotropy of layered materials leads to disparate lattice responses along
different crystallographic directions following femtosecond photoexcitation. Ultrafast …