Theoretical Study of Pentacoordinated Lanthanide Single-Ion Magnets via Ab Initio Electronic Structure Calculation
A theoretical study, based on ab initio electronic structure calculation, is performed in a group of 16 pentacoordinate Dy-SIMs. Theoretical results provide a reasonable explanation of the observed SMM performance based on a concise criterion, i.e., the co-existence of long <i>τ</i><sub>QTM</sub> an...
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| Hauptverfasser: | , , |
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| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
MDPI AG
2025-01-01
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| Schriftenreihe: | Magnetochemistry |
| Schlagworte: | |
| Online-Zugang: | https://www.mdpi.com/2312-7481/11/1/3 |
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