Ruiwen Xie

activity

20232026

collaborators

Showing 2025Show all

4 papers · 1 filter

cond-mat.mtrl-sci2025

X-ray magnetic circular dichroism of altermagnet $α$ -Fe $_{2}$ O $_{3}$ based on multiplet ligand-field theory using Wannier orbitals

Ruiwen Xie, Hamza Zerdoumi, Hongbin Zhang

Hematite $α$ -Fe $_{2}$ O $_{3}$ is a $g$ -wave altermagnetic material, which has an easy-axis phase and easy-plane weak ferromagnetic phase below and above Morin transition temperature, re…

cond-mat.mtrl-sci2025

Redox Chemistry of LiCoO $_{2}$ , LiNiO $_{2}$ , and LiNi $_{1/3}$ Mn $_{1/3}$ Co $_{1/3}$ O $_{2}$ Cathodes: Deduced via XPS, DFT+DMFT, and Charge Transfer Multiplet Simulations

Ruiwen Xie, Maximilian Mellin, Wolfram Jaegermann +3

Understanding the evolution of the physicochemical bulk properties during the Li deintercalation (charging) process is critical for optimizing battery cathode materials. In this st…

cond-mat.mtrl-sci2025

Accelerated Design of Mechanically Hard Magnetically Soft High-entropy Alloys via Multi-objective Bayesian Optimization

Mian Dai, Yixuan Zhang, Weijia He +7

Designing high-entropy alloys (HEAs) that are both mechanically hard and possess soft magnetic properties is inherently challenging, as a trade-off is needed for mechanical and mag…

cond-mat.mtrl-sci2025

Optimizing $α^{''}$ -Fe $_{16}$ N $_{2}$ as permanent magnet via alloying

Bo Zhao, Ruiwen Xie, Imants Dirba +3

Based on systematic first-principles calculations, we investigate the effects of 27 alloying elements on the intrinsic magnetic properties of Fe $_{16}$ N $_{2}$ , in order to further op…

X-ray magnetic circular dichroism of altermagnet α-Fe2​O3​ based on multiplet ligand-field theory using Wannier orbitals

Redox Chemistry of LiCoO2​, LiNiO2​, and LiNi1/3​Mn1/3​Co1/3​O2​ Cathodes: Deduced via XPS, DFT+DMFT, and Charge Transfer Multiplet Simulations

Accelerated Design of Mechanically Hard Magnetically Soft High-entropy Alloys via Multi-objective Bayesian Optimization

Optimizing α′′-Fe16​N2​ as permanent magnet via alloying

X-ray magnetic circular dichroism of altermagnet $α$ -Fe $_{2}$ O $_{3}$ based on multiplet ligand-field theory using Wannier orbitals

Redox Chemistry of LiCoO $_{2}$ , LiNiO $_{2}$ , and LiNi $_{1/3}$ Mn $_{1/3}$ Co $_{1/3}$ O $_{2}$ Cathodes: Deduced via XPS, DFT+DMFT, and Charge Transfer Multiplet Simulations

Optimizing $α^{''}$ -Fe $_{16}$ N $_{2}$ as permanent magnet via alloying