47 citations · 115 across the 19 of their papers we have counts for
13 papers · 1 filter
High-pressure phase stability and superconductivity in La-Zr-H hydrides
Ijaz shahid, Maxim A. Grebeniuk, Jinbin Zhao +8
Hydrogen-rich ternary hydrides are promising candidates for high-Tc superconductivity at megabar pressures, yet their chemical space is vast and largely unexplored. Combining evolu…
Efficient small-cell sampling for machine-learning potentials of multi-principal element alloys
Yan Liu, Jiantao Wang, Hongkun Deng +3
Multi-principal element alloys (MPEAs) exhibit exceptional properties but face significant challenges in developing accurate machine-learning potentials (MLPs) due to their vast co…
Atomistic mechanisms of phase transitions in all-temperature barocaloric material KPF
Jiantao Wang, Yi-Chi Zhang, Yan Liu +6
Conventional barocaloric materials typically exhibit limited operating temperature ranges. In contrast, KPF has recently been reported to achieve an exceptional all-temperature…
Diverse polymorphs and phase transitions in van der Waals InSe
Mingfeng Liu, Jiantao Wang, Peitao Liu +4
Van der Waals InSe has garnered significant attention due to its unique properties and wide applications associated with its rich polymorphs and polymorphic phase transitio…
-Wave Flat Fermi Surface in Altermagnets Enables Maximum Charge-to-Spin Conversion
Junwen Lai, Tianye Yu, Peitao Liu +4
Altermagnets combine antiferromagnetic order with ferromagnet-like spin splitting, a duality that unlocks ultrafast spin-dependent responses. This unique property creates unprecede…
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…
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…
Layer-by-layer phase transformation in TiO revealed by machine learning molecular dynamics simulations
Mingfeng Liu, Jiantao Wang, Junwei Hu +11
Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. In contrast to di…
Ferroelectrically switchable magnetic multistates in MnBiTe(BiTe) and MnSbTe(SbTe) (n = 0, 1) thin films
Guoliang Yu, Chuhan Tang, Zhiqiang Tian +4
Ferroelectric control of two-dimensional magnetism is promising in fabricating electronic devices with high speed and low energy consumption. The newly discovered layered MnBiT…