首页> 外文期刊>International Journal of Quantum Chemistry >Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3
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Analysis of the spin exchange interactions in the extended magnetic solids K2NiF4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3

机译:扩展的磁性固体K2NiF4,K2CuF4,La2CuO4,Nd2CuO4,KNiF3和KCuF3中自旋交换相互作用的分析

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The spin exchange parameters J of the extended magnetic solids K2NiK4, K2CuF4, La2CuO4, Nd2CuO4, KNiF3, and KCuF3 were analyzed by examining the structures of their spin monomers and calculating the energy differences Delta e in the spin levels of their spin dimers. The trends in the observed J parameters are well explained in terms of the Delta e values obtained from extended Huckel molecular orbital calculations. The Delta e value of a spin dimer is related only to the antiferromagnetic component of its J, but the spin dimer analysis based on Delta e allows one to correlate the nature of the magnetic interaction with the structure of the spin dimer. (C) 2000 Academic Press. [References: 35]
机译:通过检查其自旋单体的结构并计算其自旋二聚体自旋能级的能量差Δe来分析扩展磁性固体K2NiK4,K2CuF4,La2CuO4,Nd2CuO4,KNiF3和KCuF3的自旋交换参数J。根据从扩展的Huckel分子轨道计算获得的Delta e值,可以很好地解释观测到的J参数的趋势。自旋二聚体的Delta e值仅与其J的反铁磁性成分有关,但是基于Delta e的自旋二聚体分析允许人们将磁性相互作用的性质与自旋二聚体的结构相关联。 (C)2000年学术出版社。 [参考:35]

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