Benchmark for Ab Initio Prediction of Magnetic Structures Based on Cluster-Multipole Theory
The cluster-multipole (CMP) expansion for magnetic structures provides a scheme to systematically generate candidate magnetic structures specifically including noncollinear magnetic configurations adapted to the crystal symmetry of a given material. A comparison with the experimental data collected...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2021-02-01
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| Series: | Physical Review X |
| Online Access: | http://doi.org/10.1103/PhysRevX.11.011031 |