First-principles study of electron transport through the single-molecule magnet Mn12
Materials Science
2015-05-14 v1
Abstract
We examine electron transport through a single-molecule magnet Mn12 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 Mn12 strongly depends on them. We point out a qualitative difference between locally charged and free-electron charged Mn12.
Keywords
Cite
@article{arxiv.0909.3672,
title = {First-principles study of electron transport through the single-molecule magnet Mn12},
author = {Salvador Barraza-Lopez and Kyungwha Park and Victor Garcia-Suarez and Jaime Ferrer},
journal= {arXiv preprint arXiv:0909.3672},
year = {2015}
}