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235 papers · 1 filter
Temperature Dependent Evolution of the Electronic Structure in EuZn2As2 across the Neel Transition
Milo Sprague, Anup Pradhan Sakhya, Barun Ghosh +8
Magnetoresistive materials have been tremendously important for the development of magnetic memory storage and spintronic devices. Recently, the antiferromagnetic EuX2Pn2 compounds…
Benchmarking of Massively Parallel Phase-Field Codes for Directional Solidification
Jiefu Tian, David Montiel, Kaihua Ji +4
We present a detailed benchmark comparing two state-of-the-art phase-field implementations for simulating alloy solidification under experimentally relevant conditions. The study i…
Large longitudinal and anomalous transverse Magneto-thermoelectric effect in kagome antiferromagnet FeGe
Jiajun Ma, Rong Chen, Yazhou Li +14
Topological Kagome magnets, characterized by nontrivial electronic band structures featuring flat band, Dirac cone and van Hove singularities, provide a new avenue for the realizat…
Quasi-linear magnetoresistance and paramagnetic singularity in Hypervalent Bismuthide
Zhongchen Xu, Yi Yan, Zhihao Liu +7
Materials featuring hypervalent bismuth motifs have generated immense interest due to their extraordinary electronic structure and exotic quantum transport. In this study, we synth…
Surface Stability Modeling with Universal Machine Learning Interatomic Potentials: A Comprehensive Cleavage Energy Benchmarking Study
Ardavan Mehdizadeh, Peter Schindler
Machine learning interatomic potentials (MLIPs) have revolutionized computational materials science by bridging the gap between quantum mechanical accuracy and classical simulation…
FIRE-GNN: Force-informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties
Circe Hsu, Claire Schlesinger, Karan Mudaliar +3
The work function and cleavage energy of a surface are critical properties that determine the viability of materials in electronic emission applications, semiconductor devices, and…