$ab$-$initio$ Approaches for Low-Energy Spin Hamiltonians
| Autor: | Riedl, Kira, Li, Ying, Valenti, Roser, Winter, Stephen M. |
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| Rok vydání: | 2018 |
| Předmět: | |
| Zdroj: | Phys. Status Solidi B. doi:10.1002/pssb.201800684 (2019) |
| Druh dokumentu: | Working Paper |
| DOI: | 10.1002/pssb.201800684 |
| Popis: | Implicit in the study of magnetic materials is the concept of spin Hamiltonians, which emerge as the low-energy theories of correlation-driven insulators. In order to predict and establish such Hamiltonians for real materials, a variety of first principles $ab$-$initio$ methods have been developed, based on density functional theory and wavefunction methodologies. In this review, we provide a basic introduction to such methods and the essential concepts of low-energy Hamiltonians, with a focus on their practical capabilities and limitations. We further discuss our recent efforts toward understanding a variety of complex magnetic systems that present unique challenges from the perspective of $ab$-$initio$ approaches. Comment: Submitted to the SFB/TRR49 special issue of Physica Status Solidi B |
| Databáze: | arXiv |
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