Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods
(2010) In Physical Review Letters 104(1).- Abstract
- 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.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/a326237a-af3d-4c44-b464-b94349e8d390
- author
- Michalak, Lukasz LU ; Canali, Carlo ; Pederson, Mark R. ; Paulsson, Magnus and Benza, Vincenzo G.
- publishing date
- 2010-01-05
- type
- Contribution to journal
- publication status
- published
- subject
- in
- Physical Review Letters
- volume
- 104
- issue
- 1
- article number
- 017202
- pages
- 4 pages
- publisher
- American Physical Society
- external identifiers
-
- scopus:73649097957
- ISSN
- 1079-7114
- DOI
- 10.1103/PhysRevLett.104.017202
- language
- English
- LU publication?
- no
- id
- a326237a-af3d-4c44-b464-b94349e8d390
- date added to LUP
- 2020-02-18 17:04:29
- date last changed
- 2022-02-01 03:40:47
@article{a326237a-af3d-4c44-b464-b94349e8d390, abstract = {{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.}}, author = {{Michalak, Lukasz and Canali, Carlo and Pederson, Mark R. and Paulsson, Magnus and Benza, Vincenzo G.}}, issn = {{1079-7114}}, language = {{eng}}, month = {{01}}, number = {{1}}, publisher = {{American Physical Society}}, series = {{Physical Review Letters}}, title = {{Theory of Tunneling Spectroscopy in a Mn12 Single-Electron Transistor by Density-Functional Theory Methods}}, url = {{http://dx.doi.org/10.1103/PhysRevLett.104.017202}}, doi = {{10.1103/PhysRevLett.104.017202}}, volume = {{104}}, year = {{2010}}, }