Density-functional calculation of the quadrupole splitting in the <Superscript>23</Superscript>Na NMR spectrum of the ferric wheel Na@Fe<Subscript>6</Subscript>(tea)<Subscript>6</Subscript> <Superscript>+</Superscript> for various broken-symmetry states of the Heisenberg spin model
Year of publication: |
2007
|
---|---|
Authors: | Bischoff, F. A. ; Hübner, O. ; Klopper, W. ; Schnelzer, L. ; Pilawa, B. ; Horvatić, M. ; Berthier, C. |
Published in: |
The European Physical Journal B - Condensed Matter and Complex Systems. - Springer. - Vol. 55.2007, 3, p. 229-235
|
Publisher: |
Springer |
Subject: | 31.15.Ew Density-functional theory | 33.25.+k Nuclear resonance and relaxation | 75.30.Et Exchange and superexchange interactions | 75.50.Xx Molecular magnets |
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