Anomalous X-Ray Scattering in LaMnO3.
Anomalous X-Ray Scattering in LaMnO3.
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LaMnO3 中的异常 X 射线散射。
DOI：
10.1143/jpsj.68.2530
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发表时间：
1999
影响因子：
1.7
通讯作者：
P. Fulde
中科院分区：
文献类型：
--
作者：
Manabu Takahashi;J. Igarashi;P. Fulde
采用基于局域密度近似的能带计算方法计算了LaMnO 3的反常X射线散射强度。我们使用偶极近似的K-边吸收过程的Mn网站。我们表明，Jahn-Teller失真引起大AXS强度通过修改的4 p状态的Mn通过相邻网站上的氧势。我们表明，Mn位上的d-p库仑相互作用的各向异性部分的效果是可以忽略的AXS强度。我们还表明，AXS的强度是非常不敏感的磁秩序，它增加大致成比例的本地失真的幅度的平方。
We calculate the anomalous X-ray scattering (AXS) intensity for LaMnO 3 using the band calculation based on the local density approximation. We use the dipole approximation for the K-edge absorption process on Mn sites. We show that the Jahn-Teller distortion gives rise to large AXS intensities through the modification of the 4 p states of Mn via the oxygen potential on the neighboring sites. We show that the effect of the anisotropic part of the d - p Coulomb interaction on Mn sites is negligible for the AXS intensity. We also show that the AXS intensity is extremely insensitive to the magnetic order and that it increases roughly in proportion to the square of the magnitude of the local distortion.