output
20052026
most citedFirst-principles calculations of charge carrier mobility and conductivity in bulk semiconductors and two-dimensional materials

351 citations

Showing 2023Show all

82 papers · 1 filter

cond-mat.supr-con2023

Hydrogen Doping Induced Triplet Superconductivity in Quasi-One-Dimensional KCrAs

Ming Zhang, Chen Lu, Yajiang Chen +2

Quasi-one-dimensional (Q1D) Cr-based pnictide KCrAs has aroused great research interest due to its possible triplet superconducting pairing symmetry. Recent experiments…

physics.optics2023★ 9 cited

Broadband, High-Reflectivity Dielectric Mirrors at Wafer Scale: Combining Photonic Crystal and Metasurface Architectures for Advanced Lightsails

Jin Chang, Wenye Ji, Xiong Yao +2

Highly ambitious initiatives aspire to propel a miniature spacecraft to a neighboring star within a human generation, leveraging the radiation pressure of lasers for propulsion. On…

physics.chem-ph2023★ 132 cited

DPA-2: a large atomic model as a multi-task learner

Duo Zhang, Xinzijian Liu, Xiangyu Zhang +40

The rapid advancements in artificial intelligence (AI) are catalyzing transformative changes in atomic modeling, simulation, and design. AI-driven potential energy models have demo…

cond-mat.str-el2023★ 1 cited

Accessing Excitation of Many-body Systems via Single-Mode Approximation within Quantum Monte Carlo Simulations

Yan Liu, Kemeng Wu, Shutao Liu +4

We extend the single-mode Approximation (SMA) into quantum Monte Carlo simulations to provides an efficient and fast method to obtain the dynamical dispersion of quantum many-body…

physics.chem-ph2023★ 10 cited

Nonadiabatic conical intersection dynamics in the local diabatic representation with Strang splitting and Fourier basis

Bing Gu

We develop and implement an exact conical intersection nonadiabatic wave packet dynamics method that combines the local diabatic representation, Strang splitting for the total mole…

cond-mat.mes-hall2023★ 17 cited

Inversion symmetry-broken tetralayer graphene probed by second harmonic generation

Wenqiang Zhou, Jiannan Hua, Naitian Liu +4

Symmetry breaking governs most fascinating phenomena in crystals, such as ferroelectricity, nonlinear optics, piezoelectricity, ferromagnetism, and superconductivity. In two-dimens…