Yinwei Li

Stability of CaXe 3 under Extreme Conditions

Pan Zhang, Wei Yin, Yabin Ma, Xuecong Pan et autres

Abstract High pressure modifies the valence electron configuration of elements, enabling the formation of compounds with unconventional stoichiometries. In this work, we employ the CALYPSO structure search and density functional theory calculations to explore the structural phase transitions and electronic properties of …

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Exceptional Photonic Second‐Harmonic Generation From the Breathing Kagome Lattice Nb 3 TeI 7

Zhuoqing Wang, Zhiwen Chen, Mingzhang Yang, Xinyue Li et autres

ABSTRACT The combination of broken inversion symmetry and spatially localized electron density of states from a flat energy band in a Kagome lattice could provide an intriguing platform for giant nonlinear optical responses. In this work, we report giant second‐harmonic generation (SHG) …

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Design of Low-Coverage Diamane C4X (X = H, F, OH, NH2) with Tunable Electronic and Mechanical Properties

Xukang Miao, Leyun Huang, Shiye Chen, Jian Hao et autres

Diamane, a fully sp3-hybridized two-dimensional carbon allotrope, has attracted attention due to its exceptional mechanical strength, tunable electronic properties, and potential for nanoelectronic and nanomechanical applications. While most studies focus on semi-functionalized (50% surface functionalization) C4X2 diamane, the stability and properties of …

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Strain induced magnetic phase transition and anomalous transport phenomena in RuO$_2$ and MnF$_2$

Xiaomin Yang, Zhangqi Wu, Xiangju Wang, Shifeng Qian et autres

Collinear antiferromagnets with broken time-reversal symmetry have emerged as a fertile platform for spintronics. Using a general tight-binding model and first-principles calculations, we show that strain engineering provides a simple route to control magnetic phase transition and activate transverse responses in representative …

Strain induced magnetic phase transition and anomalous transport phenomena in RuO$_2$ and MnF$_2$

Xiuxian Yang, Zhangqi Wu, Xiangju Wang, Shifeng Qian et autres

Collinear antiferromagnets with broken time-reversal symmetry have emerged as a fertile platform for spintronics. Using a general tight-binding model and first-principles calculations, we show that strain engineering provides a simple route to control magnetic phase transition and activate transverse responses in representative …

Electric-Field-Induced Ferromagnetic-to-Altermagnetic Transition in a Two-Dimensional Fractional-Quantum Ferroelectric Multiferroic

Yanchao Wang, Ziyue Yang, Meiling Xu, Jingyan Chen et autres

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Electron-phonon superconductivity in monolayer NiH 3 and hole-doped CuH 3 : Role of hybridization of transition metal e g and hydrogen 1 s states

Renyu Duan, Meiling Xu, Yan Liu, Yiming Zhang et autres

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Deep-mantle stability of Mn 4 O and its role in Earth's manganese cycle

Yuelong Ding, Jingming Shi, Wenwen Cui, Jian Hao et autres

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A Novel Hybrid Approach for Non-Stationary Electricity Price Forecasting

Yinwei Li, Ningxuan Li, Hui Qi, Fei Wang et autres

With the implementation of market-oriented electricity trading in an increasing number of countries, accurate electricity price forecasting can not only help participants in the electricity market to make more reasonable decisions but also enable regulators to have a more reliable regulatory basis. …

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First-principles prediction of rare-earth and actinide aluminides with graphenelike aluminum layers at ambient pressure

Xinyi Gu, Shicong Ding, Hao Jian, Jingming Shi et autres

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Pressure-Directed Mixed Ionic–Electronic to Pure Electronic Conduction Transition and Improved Dielectric Properties in Nanocrystalline BaTiO 3

Susu Duan, Qinglin Wang, Guozhao Zhang, Haiwa Zhang et autres

As a typical dielectric ceramic material, BaTiO 3 has attracted considerable interest owing to its high dielectric constant. Using a combination of high-pressure AC impedance spectroscopy, Raman spectroscopy, and theoretical calculations, this study investigated the structural and electrical properties of nanocrystalline BaTiO …

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Theoretical review of photogenerated carrier dynamics in two-dimensional semiconductors

Tingbo Zhang, Xianghong Niu, Jian Hao, Yinwei Li

Abstract Two-dimensional (2D) semiconductors, with atomically thin structures, large surface areas, and tunable band structure, have attracted significant attention in optoelectronics, photovoltaics and photocatalysis. The photogenerated carrier dynamics of 2D materials play a pivotal role in determining photovoltaic and photocatalytic efficiencies. However, …

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