Theory of Tunneling Spectroscopy in a Mn${}_{12}$ Single-Electron Transistor by Density-Functional Theory Methods

Abstract

We consider tunneling transport through a Mn${}_{12}$ molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wavefunctions from Kohn-Sham orbitals allows for the determination of spin-dependent matrix elements for use in transport calculations. The tunneling conductance at finite bias is characterized by peaks representing transitions between spin multiplets, separated by an energy on the order of the magnetic anisotropy. The energy splitting of the spin multiplets and the spatial part of their many-body wave functions, describing the orbital degrees of freedom of the excess charge, strongly affect the electronic transport, and can lead to negative differential conductance.

4 pages, 3 figures, a revised version with minor changes

References in corpus (7)

• Signatures of Molecular Magnetism in Single-Molecule Transport Spectroscopy
• Berry Phase Oscillations of the Kondo Effect in Single-Molecule Magnets
• First-principles study of electron transport through the single-molecule magnet Mn12
• Kondo effect in single-molecule magnet transistors
• Cotunneling and non-equilibrium magnetization in magnetic molecular monolayers
• Tunneling through magnetic molecules with arbitrary angle between easy axis and magnetic field
• Sequential Tunneling through Molecular Spin Rings

Cited by in corpus (11)

• Spin electric effects in molecular antiferromagnets
• Electric control of a $\{F{e}_4\}$ single-molecule magnet in a single-electron transistor
• Tight Binding Model of Mn12 Single Molecule Magnets: Electronic and Magnetic Structure and Transport Properties
• Ligand-based transport resonances of single-molecule magnet spin filters: Suppression of the Coulomb blockade and determination of the orientation of the magnetic easy axis
• Effects of bonding type and interface geometry on coherent transport through the single-molecule magnet Mn12
• Molecular Magnetocapacitance
• First-principles many-body models for electron transport through molecular nanomagnets
• A Multiferroic Molecular Magnetic Qubit
• The nature of the ferromagnetic ground state in the Mn4 molecular magnet
• Single-Molecule Magnet Mn${}_{12}$ on GaAs-supported Graphene: Gate Field Effects From First Principles
• Non-collinear first-principles studies of the spin-electric coupling in frustrated triangular molecular magnets