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Local Atomic Structure of Partially Ordered NiMn in NiMn/NiFe Exchange-Coupled Layers: 2. Electronic Structure Calculations

โœ Scribed by Garcia-Adeva, Angel J.; Howell, Rafael C.; Conradson, Steven D.; Mustre de Leon, Jose F.; Espinosa-Faller, Francisco J.


Book ID
126072197
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
880 KB
Volume
109
Category
Article
ISSN
0022-3654

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โœ Alessandro Bencini; Dante Gatteschi ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 418 KB

The X~U-SW-VB model has been applied to compute the singlet-triplet separation in the model complex [ (OH),Cu(p-0 )Cu( OH),] 6-whose geometric and bonding parameters were fixed at the values observed in the crystal strncture of YBaZCu#\_v. The calculations show that a strong antiferromagnetic inter