High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments

@article{Choudhary2021HighthroughputSF,
  title={High-throughput search for magnetic topological materials using spin-orbit spillage, machine learning, and experiments},
  author={Kamal Choudhary and Kevin F Garrity and Nirmal J. Ghimire and Naween Anand and Francesca Tavazza},
  journal={Physical Review B},
  year={2021},
  volume={103}
}
Magnetic topological insulators and semi-metals have a variety of properties that make them attractive for applications including spintronics and quantum computation, but very few high-quality candidate materials are known. In this work, we use systematic high-throughput density functional theory calculations to identify magnetic topological materials from 40000 three-dimensional materials in the JARVIS-DFT database (https://jarvis.nist.gov/jarvisdft). First, we screen materials with net… 
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