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Dielectric function decomposition by dipole interaction distribution: application to triclinic K 2 Cr 2 O 7
New Journal of Physics ( IF 3.3 ) Pub Date : 2020-07-23 , DOI: 10.1088/1367-2630/ab99df
C Sturm 1 , S Hfer 2 , K Hingerl 3 , T G Mayerhfer 2 , M Grundmann 1
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Here we present a general approach for the description for the frequency dependent dielectric tensor coefficients for optically anisotropic materials. Based on symmetry arguments we show that the components of the dielectric tensor are in general not independent of each other. For each excitation there exists an eigensystem, where its contribution to the dielectric tensor can be described by a diagonal susceptibility tensor. From the orientation of the eigensystem and the relative magnitude of the tensor elements, the dipole interaction distribution in real space can be deduced. In the limiting cases, the oriented dipole approach as well as the tensor of isotropic and uniaxial materials are obtained. The application of this model is demonstrated exemplarily on triclinic K 2 Cr 2 O 7 and the orientation and directional distribution of the corresponding dipole moments in real space are determined.

中文翻译:

偶极相互作用分布的介电函数分解:在三斜K 2 Cr 2 O 7中的应用

在这里,我们介绍了一种用于描述光学各向异性材料的频率相关介电张量系数的通用方法。基于对称性论证,我们表明介电张量的分量通常不是彼此独立的。对于每个激发,都有一个本征系统,其中它对介电张量的贡献可以用对角磁化率张量描述。从本征系统的方向和张量元素的相对大小,可以推导出真实空间中的偶极子相互作用分布。在极限情况下,可以获得定向偶极方法以及各向同性和单轴材料的张量。
更新日期:2020-07-24
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