Density-functional calculation of the quadrupole splitting in the 23Na NMR spectrum of the ferric wheel Na@Fe 6(tea) 6 + for various broken-symmetry states of the Heisenberg spin model

European Physical Journal B

Volumn 55, Issue 3, 2007, Pages 229-235

  Bischoff, F A ^a   Hubner O ^b   Klopper, W ^a,b   Schnelzer, L ^a   Pilawa, B ^a   Horvatic M ^c   Berthier, C ^c  

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^c GRENOBLE HIGH MAGNETIC FIELD LABORATORY   (France)

Author keywords

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

Indexed keywords

ELECTRIC FIELD GRADIENT (EFG); HEISENBERG SPIN MODELS; KOHN SHAM DETERMINANTS; QUADRUPOLE SPLITTING;

COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELECTRIC FIELD MEASUREMENT; HAMILTONIANS; ISING MODEL; NUCLEAR MAGNETIC RESONANCE;

FERRIMAGNETIC MATERIALS;

EID: 33847663328     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2007-00050-6     Document Type: Article

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