Simulating magnetic transition states via string method in first principle calculation
Abstract The phase transition process in magnetic materials entails novel physical properties closely linked to electron distribution and energy states. However, the absence of an electron-scale calculation method for magnetic transition states hinders accurate description of electronic state change...
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| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2025-05-01
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| Series: | npj Computational Materials |
| Online Access: | https://doi.org/10.1038/s41524-025-01603-8 |
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