| Issue |
Europhys. Lett.
Volume 60, Number 2, October 2002
|
|
|---|---|---|
| Page(s) | 309 - 315 | |
| Section | Condensed matter: electronic structure, electrical, magnetic, and optical properties | |
| DOI | https://doi.org/10.1209/epl/i2002-00351-x | |
| Published online | 01 October 2002 | |
Comparative study between two quantum spin systems
and 
1
S. N. Bose National Centre for Basic Sciences JD Block, Sector 3, Salt Lake City, Kolkata 700098, India
2
Fakultät 7, Theoretische Physik, University of the Saarland 66041 Saarbrücken, Germany
Received:
11
April
2002
Accepted:
22
July
2002
We have performed an ab initio study of the electronic
structure of two isostructural quantum spin systems,
and , which have recently
attracted much attention due to their unconventional magnetic
properties. Our first-principles analysis shows unambiguously the
role of 
, as opposed to structural differences between
the two compounds, in making a
strongly coupled 
dimer system compared
to which shows a weakly coupled
dimer behavior. Good agreement with the existing
analysis of inelastic neutron scattering results has been
observed.
PACS: 75.10.Jm – Quantized spin models / 75.30.Et – Exchange and superexchange interactions / 71.20.-b – Electron density of states and band structure of crystalline solids
© EDP Sciences, 2002
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