Spin waves in the 3d S=52 Heisenberg antiferromagnetic systems K2Fe1−xInxCl5·D2O (x=0.0 and 0.05)
✍ Scribed by J Campo; F Palacio; C.C Becerra; A.R Wildes; L.P Regnault; J.E Lorenzo Dı́az
- Book ID
- 114224021
- Publisher
- Elsevier Science
- Year
- 2001
- Tongue
- English
- Weight
- 102 KB
- Volume
- 226-230
- Category
- Article
- ISSN
- 0304-8853
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📜 SIMILAR VOLUMES
Using density functional theory DFT , the multiplicity of the ground state was determined for Fe S Cl 1y ions as well as the order of the excited spin states. A 6 6 6 method to determine the exchange integrals J of the Fe S 5q cluster is presented based on 6 6 these results and a spin-coupling alge
The ab initio electronic structure calculations at the MP2 and the Becke Ž . 3LYP density functional levels in conjunction with the 6-311qqG 2 df, 2 pd basis set were used for the determination of the structure, vibrational spectra, and dissociation 2q 2q Ž . energies of the XH and XH X s C, Si, Ge