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ORBITAL PROPERTIES OF VANADIUM IONS IN MAGNETICALLY ORDERED V_2O_3

机译:磁性有序V_2O_3中钒离子的轨道性质

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We have added a successful interpretation of Templeton-Templeton x-ray scattering to our earlier success with magnetic scattering by magnetically ordered V_2O_3. Expressed in terms of trigonal axes, that include a_h, and c_h, a vanadium ion in magnetically ordered V_2O_3 bears an imprint of the three-fold rotation symmetry associated with the high-symmetry (corundum) structure adopted above the Neel temperature. In addition, the resonant x-ray Bragg diffraction data we have interpreted is consistent with an orbital magnetic moment confined to the plane a_m ― c_m, which is normal to a_h = b_m, and inclined with respect to c_h by an angle Φ~70°. However, resonant x-ray diffraction experiments are not suitable for the determination of the magnitude of the orbital moment. (The moment can be measured by diffraction of x-rays with an energy well above the resonance region or neutron diffraction.) The successful outcome of our interpretation has been exploited to characterize orbital properties of a vanadium ion. To this end, we have used a model wavefunction created from the V ion ground state determined by Hund's rules. Coefficients in the model are determined by fitting to material properties that enter our interpretation of experimental date. One use of our inferred model wavefunction is to estimate orbital moments. The moments characterize the 3d valence shell and the ordering of orbitals in the magnetic unit cell.
机译:我们已经增加了通过磁有序V_2O_3的磁排序磁散射来成功地解释了Templeton-Templeton X射线散射散射。以三角形轴表示,包括A_H和C_H,磁性有序V_2O_3中的钒离子承受与上述NEER温度上方采用的高对称性(刚玉)结构相关的三倍旋转对称的压印。另外,我们已经解释的谐振X射线布拉格衍射数据与限制在平面A_M - C_M的轨道磁矩一致,这是正常到A_H = B_M的,并且相对于C_H倾斜角度φ〜70° 。然而,共振X射线衍射实验不适合确定轨道力矩的大小。 (可以通过在谐振区域或中子衍射高于谐振区域或中子衍射上方的能量差的X射线衍射X射线来测量。)我们解释的成功结果已经利用,以表征钒离子的轨道性质。为此,我们使用了由由Hund规则确定的V离子地面状态产生的模型波段。模型中的系数是通过拟合进入我们对实验日期解释的材料属性来确定的。我们推断模型的一种使用是为了估计轨道矩。时刻表征了3D价壳和磁性单元电池中的轨道的排序。

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