Determination of Exchange Coupling of Dimethoxo-Bridged Dichromium(III) Complexes and Magnetic Field Dependence of Magnetization
Küçük Resim Yok
Tarih
2013
Yazarlar
Dergi Başlığı
Dergi ISSN
Cilt Başlığı
Yayıncı
Springer
Erişim Hakkı
info:eu-repo/semantics/closedAccess
Özet
The density functional theory method is used to calculate the exchange coupling constant in dimethoxo-bridged dichromium(III) complex. It is found that the bridge angle has an important role for the coupling constant. It is realized that the coupling constant changes its sign by variation of the bridge angle. From the calculation it is clear that there is a phase transition from ferromagnetism to antiferromagnetism at a certain bridge angle.
Açıklama
3rd International Conference on Superconductivity and Magnetism (ICSM) -- APR 29-MAY 04, 2012 -- Istanbul, TURKEY
Anahtar Kelimeler
Magnetization, DFT, Exchange Coupling, Cr(III) Dimer, Density-Functional Thermochemistry, Gaussian-Basis Sets, Atoms Li, Copper(Ii)
Kaynak
Journal Of Superconductivity And Novel Magnetism
WoS Q Değeri
Q3
Scopus Q Değeri
Q3
Cilt
26
Sayı
4
