Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods

Lukasz Michalak, Carlo Canali, Mark R. Pederson, Magnus Paulsson, Vincenzo G. Benza

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

We consider tunneling transport through a Mn12 molecular magnet using spin density functional theory. A tractable methodology for constructing many-body wave functions 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.
Originalspråkengelska
Artikelnummer017202
Antal sidor4
TidskriftPhysical Review Letters
Volym104
Nummer1
DOI
StatusPublished - 2010 jan. 5
Externt publiceradJa

Ämnesklassifikation (UKÄ)

  • Den kondenserade materiens fysik

Fingeravtryck

Utforska forskningsämnen för ”Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods”. Tillsammans bildar de ett unikt fingeravtryck.

Citera det här