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Exchange coupling interactions in a Fe6 complex: A theoretical study using density functional theory

✍ Scribed by Thomas Cauchy; Eliseo Ruiz; Santiago Alvarez

Book ID
104079725
Publisher
Elsevier Science
Year
2006
Tongue
English
Weight
235 KB
Volume
384
Category
Article
ISSN
0921-4526

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A Theoretical Study of the Nearest CuΒ·Β·Β·Cu Antiferromagnetic Exchange Coupling Interactions in [LaCu6] and [YCu6]
✍ Yi-Quan Zhang; Cheng-Lin Luo πŸ“‚ Article πŸ“… 2007 πŸ› John Wiley and Sons 🌐 English βš– 160 KB

## Abstract A density functional study of the exchange coupling interactions between the two nearest Cu^II^ centers in [LaCu~6~] and [YCu~6~] is presented. Two approaches show that the CuΒ·Β·Β·Cu antiferromagnetic interactions increase with a decrease of the ionic radius of the diamagnetic central La^