54 citations · 160 across the 23 of their papers we have counts for
10 papers · 1 filter
Magnetism and weak electronic correlations in Kagome metal ScVSn
Tianye Yu, Junwen Lai, Xiangyang Liu +3
As one class of typical quantum materials, Kagome metals in VSb( = K, Rb, Cs) have attracted extensive attentions due to their interesting physical properties and dif…
Néel vector-dependent anomalous transport in altermagnetic metal CrSb
Tianye Yu, Ijaz Shahid, Peitao Liu +3
Altermagnets are predicted to exhibit anomalous transport phenomena, such as the anomalous Hall and Nernst effects, as observed in ferromagnets but with a vanishing net magnetic mo…
Quantum Delocalization Enables Water Dissociation on Ru(0001)
Yu Cao, Jiantao Wang, Mingfeng Liu +7
We revisit the long-standing question of whether water molecules dissociate on the Ru(0001) surface through nanosecond-scale path-integral molecular dynamics simulations on a sizab…
The Fe-N system: crystal structure prediction, phase stability, and mechanical properties
Ergen Bao, Jinbin Zhao, Qiang Gao +6
Nitriding introduces nitrides into the surface of steels, significantly enhancing the surface me-chanical properties. By combining the variable composition evolutionary algorithm a…
Efficient moment tensor machine-learning interatomic potential for accurate description of defects in Ni-Al Alloys
Jiantao Wang, Peitao Liu, Heyu Zhu +5
Combining the efficiency of semi-empirical potentials with the accuracy of quantum mechanical methods, machine-learning interatomic potentials (MLIPs) have significantly advanced a…
Origin of the charge density wave state in BaFeAl
Yuping Li, Mingfeng Liu, Jiangxu Li +7
Recently, a first-order phase transition associated with charge density wave (CDW) has been observed at low temperatures in intermetallic compound BaFeAl. However, this tra…
Ab-initio study of quantum oscillation in altermagnetic and nonmagnetic phases of RuO
Yingliang Huang, Junwen Lai, Jie Zhan +5
Altermagnet (AM) is a new proposed magnetic state with collinear antiferromagnetic ground state but presents some transport properties that were only believed to exist in ferromagn…
Electric field tunable non-linear Hall terahertz detector in Dual quantum spin Hall insulator
Junwen Lai, Jie Zhan, Peitao Liu +2
Nonlinear Hall effect (NHE) can be generated via Berry curvature dipole (BCD) on nonequilibrium Fermi surface in a non-magnetic system without inversion symmetry.To achieve a large…
Prediction of dual quantum spin Hall insulator in NbIrTe monolayer
Xiangyang Liu, Junwen Lai, Jie Zhan +5
Dual quantum spin Hall insulator (QSHI) is a newly discovered topological state in the 2D material TaIrTe, exhibiting both a traditional band gap at charge neutrality poi…
Switchable quantized signal between longitudinal conductance and Hall conductance in dual quantum spin Hall insulator TaIrTe
Junwen Lai, Xiangyang Liu, Jie Zhan +4
Topological insulating states in two-dimensional (2D) materials are ideal systems to study different types of quantized response signals due to their in gap metallic states. Very r…