This title appears in the Scientific Report :
2008
Please use the identifier:
http://dx.doi.org/10.1103/PhysRevLett.100.117207 in citations.
Controlling the magnetization direction in molecules via their oxidation state
Controlling the magnetization direction in molecules via their oxidation state
By means of ab initio calculations we predict that it is possible to manipulate the magnetization direction in organic magnetic molecules by changing their oxidation state. We demonstrate this novel effect on the Eu-2(C8H8)(3) molecule, in which the hybridization of the outer pi ring states with the...
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Personal Name(s): | Atodiresei, N. |
---|---|
Dederichs, P. H. / Mokrousov, Y. / Bergqvist, L. / Bihlmayer, G. / Blügel, S. | |
Contributing Institute: |
Quanten-Theorie der Materialien; IAS-1 Theorie der Strukturbildung; IFF-3 Quanten-Theorie der Materialien; IFF-1 JARA-FIT; JARA-FIT Jülich-Aachen Research Alliance - Simulation Sciences; JARA-SIM |
Published in: | Physical review letters, 100 (2008) S. 117207 |
Imprint: |
College Park, Md.
APS
2008
|
Physical Description: |
117207 |
DOI: |
10.1103/PhysRevLett.100.117207 |
Document Type: |
Journal Article |
Research Program: |
Grundlagen für zukünftige Informationstechnologien |
Series Title: |
Physical Review Letters
100 |
Subject (ZB): | |
Link: |
Get full text OpenAccess |
Publikationsportal JuSER |
By means of ab initio calculations we predict that it is possible to manipulate the magnetization direction in organic magnetic molecules by changing their oxidation state. We demonstrate this novel effect on the Eu-2(C8H8)(3) molecule, in which the hybridization of the outer pi ring states with the Eu 4f states causes a redistribution of the orbitals around the Fermi level leading to a strong ferromagnetism due to a hole-mediated exchange mechanism. As a key result, we predict an oscillatory behavior of the easy axis of the magnetization as a function of the oxidation state of the molecule-a new effect, which could lead to new technological applications. |