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arXiv 0806.1626cond-mat.str-el
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宇称和时间约束破缺对磁铁矿Fe前K边共振X射线散射的影响

Parity and Time-Reversal Breaking Effects on Resonant X-Ray Scattering at the Fe Pre-K-Edge in Magnetite

Jun-ichi Igarashi, Tatsuya Nagao

摘要:

研究了非中心对称对磁铁矿中共振X射线散射的影响。尖晶石结构中A位的非中心对称性使得4p态通过相邻的氧2 p态与3d态强烈杂化,从而引起RXS谱中偶极-四极(E1-E2)过程的非零贡献。我们通过引入一个具有多重态和4p带的FeO_4团簇的微观模型来证实这一观察。结果表明,两种A位之间的杂化改变了其符号,相应地,E1-E2过程产生的局域振幅也改变了其符号,导致在边缘前区域的(002)和(006)禁斑处的RXS强度不为零,这与实验结果一致。预测作为破坏中心对称性和时间反演对称性的结果,前边缘强度对所施加的磁场的方向的大的依赖性。此外,我们结合实验分析了在允许点(222)处所施加的磁场的两个相反方向之间的强度差。在MnCr_2O_4的Mn前K边处,我们得到了类似于所观察到的光谱的“色散”形式的强度差,但与磁铁矿中的观测结果有很大的不同。虽然所观察到的光谱声称产生的“磁电”振幅,我们认为,这种说法是没有理由的。

英文摘要:

We study noncentrosymmetric effects on resonant x-ray scattering (RXS) in magnetite. The noncentrosymmetry at A sites in spinel structure makes the 4p states strongly hybridize with the 3d states through neighboring oxygen 2p states, giving rise to the non-vanishing contribution of the dipole-quadrupole (E1-E2) process in the RXS spectra. We substantiate this observation by introducing a microscopic model of a FeO_4 cluster with multiplets and the 4p band. We show that the hybridization changes its sign between two kinds of A sites and accordingly the local amplitude from the E1-E2 process changes its sign, resulting in non-vanishing RXS intensities at forbidden spots (002) and (006) in the pre-edge region in agreement with the experiment. A large dependence of the pre-edge intensity on the direction of the applied magnetic field is predicted as a consequence of breaking both centrosymmetry and time-reversal symmetry. Furthermore we analyze the intensity difference between two opposite directions of the applied magnetic field at the allowed spot (222) in connection with the experiment. We obtain the intensity difference of a "dispersion" form, which resembles the observed spectra at the Mn pre-K-edge in MnCr_2O_4 but is quite different from the observed one in magnetite. Although the observed spectra are claimed to arise from "magnetoelectric" amplitude, we argue that this claim has no ground.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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