期刊
PHYSICAL REVIEW LETTERS
卷 102, 期 24, 页码 -出版社
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.102.246801
关键词
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资金
- NSF [DMR-0804665]
- Jeffress Memorial Trust Funds
- NCSA [DMR060009N]
- MEC [FIS2006-12117]
- Direct For Mathematical & Physical Scien
- Division Of Materials Research [0804665] Funding Source: National Science Foundation
We examine electron transport through a single-molecule magnet Mn-12 bridged between Au electrodes using the first-principles method. We find crucial features which were inaccessible in model Hamiltonian studies: spin filtering and a strong dependence of charge distribution on local environments. The spin filtering remains robust with different molecular geometries and interfaces, and strong electron correlations, while the charge distribution over the Mn-12 strongly depends on them. We point out a qualitative difference between locally charged and free-electron-charged Mn-12.
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