| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382492 | Chemical Physics Letters | 2013 | 4 Pages |
Abstract
⺠Spin ordering was investigated in (MnS)6 via density functional-based calculations. ⺠Antiferromagnetic energy benefit in Mn6S6 isomers correlates with Mnâ-Mnâ distances. ⺠AFM-like spin ordering yields magnetostriction of 0.12 ± 0.06 Ã
over FM ordering. ⺠The barrier to interconversion between lowest lying tube and cube isomers is small. ⺠Increased entropy in (MnS)6 premelted dynamics may raise its melting temperature.
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Authors
April D. Lewoczko, Joseph J. BelBruno, Stefan T. Bromley,