129 citations · 274 across the 18 of their papers we have counts for
19 papers
Rotational Soft Modes and Octahedral Distortion as Design Principles for Ultralow Thermal Conductivity in Halide Materials
Yu Wu, Luman Shang, Yufan Liu +4
We establish that ultralow lattice thermal conductivity in halide perovskites and related octahedral framework materials arises from two distinct and complementary mechanisms: (i)…
Cooperative Suppression Strategy for Dual Thermal Transport Channels in Crystalline Materials
Yu Wu, Ying Chen, Shuming Zeng +4
We propose a novel design principle for achieving ultralow thermal conductivity in crystalline materials via a "heavy-light and soft-stiff" structural motif. By combining heavy and…
Ultrafast magneto-lattice dynamics in two-dimensional CrSBr driven by terahertz excitation
Yiqi Huo, Shuo Li, Luo Yan +3
Terahertz (THz) lasers provide a new research perspective for spin electronics applications due to their sub-picosecond time resolution and non-thermal ultrafast demagnetization, b…
SA-GAT-SR: Self-Adaptable Graph Attention Networks with Symbolic Regression for high-fidelity material property prediction
Junchi Liu, Ying Tang, Sergei Tretiak +2
Recent advances in machine learning have demonstrated an enormous utility of deep learning approaches, particularly Graph Neural Networks (GNNs) for materials science. These method…
Decoupled anisotropic Charge-Phonon Transport Enables Exceptional n-Type Thermoelectric Performance in CuBiSCl
Yu Wu, Ying Chen, Shuming Zeng +2
First-principles calculations demonstrate an exceptional decoupling of charge and thermal transport along the \textit{a}-axis in CuBiSCl. The material achieves superior electro…
M\textbf{\textit{O}}enes family materials with Dirac nodal loop, strong light-harvesting ability, long carrier lifetime and conduction-band valley spin splitting
Luo Yan, Junchi Liu, Yu-Feng Ding +3
M\textbf{\textit{O}}enes, as emerging MXenes-like materials, also have wide structural spaces and various chemical and physical properties. Using first-principles and high-throughp…
Weak Host Interactions Induced Thermal Transport Properties of Metal Halide Perovskites Deviating from the Rattling Model
Yu Wu, Linxuan Ji, Shuming Zeng +2
The low-frequency phonon branches of metal halide perovskites typically exhibit the characteristic of hardening with the increase of the cation mass, which leads to anomalous therm…
When is the Four-phonon Effect in Half-Heusler Materials more Pronounced?
Yu Wu, Shengnan Dai, Linxuan Ji +3
Suppressed three-phonon scattering processes have been considered to be the direct cause of materials exhibiting significant higher-order four-phonon interactions. However, after c…
Ultralow lattice thermal transport and considerable wave-like phonon tunneling in chalcogenide perovskite BaZrS
Yu Wu, Ying Chen, Qiaoqiao Li +4
Chalcogenide perovskites provide a promising avenue for non-toxic, stable thermoelectric materials. Here, thermal transport and thermoelectric properties of BaZrS as a typical…
Triggering superconductivity, semiconducting states, and ternary valley structure in graphene via functionalization with Si-N layers
Luo Yan, Jiaojiao Zhu, Bao-Tian Wang +4
Opening a band gap and realizing static valley control have been long sought after in graphenebased two-dimensional (2D) materials. Motivated by the recent success in synthesizing…
Halogenation induced transition of superconductor-to-semiconductor in MXene-like MOene with direct band gap and long carrier lifetime
Luo Yan, Kui xue, Jing Zhang +3
Traditional MXenes with intriguing mechanical and electronic properties, together with the fertilities of elemental compositions and chemical decorations have aroused much attentio…
Single-Layer Di-titanium oxide Ti2O MOene: Multifunctional Promises for Electride, Anode Materials, and Superconductor
Luo Yan, Tao Bo, Bao-Tian Wang +2
Using the first-principles calculations, we report the existence of the single-layer (SL) di-titanium oxide TiO (labeled as MOene) that constructs a novel family of MXene based…
First-principles prediction into robust high-performance photovoltaic double perovskites ASiI (A = K, Rb, Cs)
Qiaoqiao Li, Liujiang Zhou, Yanfeng Ge +5
Despite the exceeding 23\% photovoltaic efficiency achieved in organic-inorganic hybrid perovskite solar cells obtaining, the stable materials with desirable band gap are rare and…
Band Structure Engineering of Interfacial Semiconductors Based on Atomically Thin Lead Iodide Crystals
Yan Sun, Zhen Huang, Zishu Zhou +20
To explore new constituents in two-dimensional materials and to combine their best in van der Waals heterostructures, are in great demand as being unique platform to discover new p…
Rectangular Tantalum Carbide Halides TaCX (X = Cl, Br, I) monolayer: Novel Large-Gap Quantum Spin Hall Insulator
Liujiang Zhou, Wujun Shi, Yan Sun +4
Quantum spin Hall (QSH) insulators possess edge states that are topologically protected from backscattering. However, known QSH materials (e.g. HgTe/CdTe and InAs/GaSb quantum well…
Phosphorene and Doped Monolayers Interfaced TiO with Type-II Band Alignments: Novel Excitonic Solar Cells
Liujiang Zhou, Jin Zhang, Zhiwen Zhuo +6
Phosphorene, a new elemental two dimensional (2D) material recently isolated by mechanical exfoliation, holds the feature of a direct band gap of around 2.0 eV, overcoming graphene…
New Quantum Spin Hall Insulator in Two-dimensional MoS with Periodically Distributed Pores
Peng-Fei Liu, Liujiang Zhou, Thomas Frauenheim +1
MoS, one of transition metal dichalcogenides (TMDs), has caused a lot of attentions for its excellent semiconductor characteristics and potential applications. Here, based on t…
Tetragonal Bismuth Bilayer: A Stable and Robust Quantum Spin Hall Insulator
Liangzhi Kou, Xin Tan, Yandong Ma +6
Topological insulators (TIs) exhibit novel physics with great promise for new devices, but considerable challenges remain to identify TIs with high structural stability and large n…
New Family of Quantum Spin Hall Insulators in Two-dimensional Transition-Metal Halide with Large Nontrivial Band Gaps
Liujiang Zhou, Liangzhi Kou, Yan Sun +6
Topological insulators (TIs) are promising for achieving dissipationless transport devices due to the robust gapless states inside the insulating bulk gap. However, currently reali…