Electron-vibron coupling effects on electron transport via a single-molecule magnet

We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe sub(4), by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters,...

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Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-03, Vol.91 (12), Article 125419
Main Authors: McCaskey, Alexander, Yamamoto, Yoh, Warnock, Michael, Burzurí, Enrique, van der Zant, Herre S. J., Park, Kyungwha
Format: Article
Language:English
Subjects:
Anisotropy
Condensed matter
Conductance
Coupling (molecular)
Electron transport
Electron tunneling
Magnetic anisotropy
Mathematical models
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Summary:We investigate how the electron-vibron coupling influences electron transport via an anisotropic magnetic molecule, such as a single-molecule magnet (SMM) Fe sub(4), by using a model Hamiltonian with parameter values obtained from density-functional theory (DFT). The magnetic anisotropy parameters, vibrational energies, and electron-vibron coupling strengths of the Fe sub(4) are computed using DFT. In sequential electron tunneling, we find that the magnetic anisotropy gives rise to new features in the conductance peaks arising from vibrational excitations. The magnetic anisotropy also introduces vibrational satellite peaks whose position and height are modified with the direction and magnitude of applied B field. The new features appear because the magnetic anisotropy barrier is of the same order of magnitude as the energies of vibrational modes with significant electron-vibron coupling. Our findings clearly show the interesting interplay between magnetic anisotropy and electron-vibron coupling in electron transport via the Fe sub(4). Similar behavior can be observed in transport via other anisotropic magnetic molecules.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.91.125419