2009/05/03 by C. D. Pemmaraju, I. Rungger, Ivan Rungger +5
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.0905.0281
8 pages, 8 figures, 2 page supplementary material
arxiv created 2009/05/03 · openalex publication_date 2009/05/03 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
We demonstrate that the different magnetic states of a Mn12 molecule can be distinguished in a two-probe transport experiment from a complete knowledge of the current-voltage curve. Our results, obtained with state-of-the-art non-equilibrium transport methods combined with density functional theory, demonstrate that spin configuration-specific negative differential resistances (NDRs) appear in the I-V curves. These originate from the interplay between electron localization and the re-hybridization of the molecular levels in an external electric field and allow the detection of the molecule's spin-state.