Do electron distributions with orbital degree of freedom exhibit anisotropy?
Do electron distributions with orbital degree of freedom exhibit anisotropy?
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具有轨道自由度的电子分布是否表现出各向异性？
DOI：
10.1039/d1ma01113h
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发表时间：
2022
影响因子：
5
通讯作者：
Sawa Hiroshi
中科院分区：
文献类型：
--
作者：
Manjo Taishun;Kitou Shunsuke;Katayama Naoyuki;Nakamura Shin;Katsufuji Takuro;Nii Yoichi;Arima Taka-hisa;Nasu Joji;Hasegawa Takumi;Sugimoto Kunihisa;Ishikawa Daisuke;Baron Alfred Q. R.;Sawa Hiroshi
轨道自由度出现在部分填充的简并轨道中，并负责各种物理性质。尽管人们提出了许多直接观测有序态轨道态的方法，但直接确定简并轨道态是困难的。我们发现，高精度的衍射数据获得的同步辐射X射线可以用来观察只有价电子密度分布与最小的分析偏差。用这种方法得到的结果清楚地表明部分填充的简并3d轨道状态的尖晶石钒氧化物FeV2O4的各向异性。利用这种各向异性成功地确定了三维轨道量子态。
Orbital degrees of freedom appear in partially filled degenerate orbitals and are responsible for a variety of physical properties. Although many methods for directly observing orbital states in ordered states have been proposed, it is difficult to determine degenerate orbital states directly. We found that high-precision diffraction data obtained by synchrotron radiation X-rays can be used to observe only the valence electron density distribution with minimal analytical bias. The results obtained using this method clearly showed the anisotropy of the partially filled degenerate 3d orbital states in spinel vanadium oxide FeV2O4. The 3d orbital quantum state was successfully determined from this anisotropy.