首页> 外文期刊>International Journal of Quantum Chemistry >Calculation of a power spectrum and definition of wave functions of an ion Cr~(3+) in antiferromagnetic crystal Cr_2O_3 in the model of a crystalline field
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Calculation of a power spectrum and definition of wave functions of an ion Cr~(3+) in antiferromagnetic crystal Cr_2O_3 in the model of a crystalline field

机译:晶体场模型中反铁磁晶体Cr_2O_3中的Cr〜(3+)离子功率谱的计算和波函数的定义

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摘要

The antiferromagnetic crystal Cr_2O_3 contains magnetoactive ions Cr~(3+) and has C3v local symmetry. In this crystal exist cross-effects, for example linear magnetoelectric effect and others. It is necessary to know the energy levels and wave functions of an ion Cr~(3+) exact simulation of this effect. In the present paper the problem of calculation of the crystalline field potential is solved in the single-ion model. For Cr_2O_3 the splitting of energy levels are determined and wave functions for ground and exited states are calculated.
机译:反铁磁晶体Cr_2O_3包含磁活性离子Cr〜(3+),并且具有C3v局部对称性。在该晶体中存在交叉效应,例如线性磁电效应等。有必要确切了解此效应的离子Cr〜(3+)的能级和波函数。在本文中,解决了单离子模型中晶体场电势的计算问题。对于Cr_2O_3,确定了能级的划分,并计算了基态和出射态的波函数。

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