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BaAl2Ge2: synthesis, crystal structure, magnetic and electronic properties, chemical bonding, and atomistic model of the α↔β phase transition

✍ Scribed by Stefano Leoni; Wilder Carrillo-Cabrera; Walter Schnelle; Yuri Grin


Book ID
114370529
Publisher
Elsevier Science
Year
2003
Tongue
English
Weight
707 KB
Volume
5
Category
Article
ISSN
1293-2558

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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