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Electron structure and magnetic properties of self-doped Pr 1-xMnO3+δ manganites: XANES and EXAFS study. Comparing with A- and B-site doped perovskites
Solid State Sciences ( IF 3.5 ) Pub Date : 2021-05-18 , DOI: 10.1016/j.solidstatesciences.2021.106653
A.N. Ulyanov , Ki-jeong Kim , Hyun-Joon Shin , Dong-Seok Yang , K.I. Maslakov , N.E. Pismenova , S.V. Savilov

The local electronic and crystal structures of self-doped Pr1-xMnO3+δ (x = 0.0 and 0.2) perovskites are studied by x-ray absorption spectroscopy at Mn K-, Mn L- and O K-edges. The Mn K-edge shifts towards higher energy with increasing x indicating the increase in average manganese valence, which, in turn, leads to an increase in magnetization. The Mn L-edge spectra display a splitting into L3(2p3/2) and L2(2p1/2) peaks which is caused by core hole spin-orbit coupling. The intensities of 2p3/2 and 2p1/2 peaks increase with x, which correlates with the increase in magnetization and results from the change in hybridization between O 2p and Mn 3d orbitals. Altering x do not affect the O K-pre-edge spectra indicating no changes in Fermi level. Difference in relation of magnetic properties to electron structure in self-doped manganites and oxides doped in A- and B-positions of perovskites ABO3 cell is underlined. The Fourier transform of EXAFS spectra shows the decrease in oxygen and praseodymium contents and the formation of trivalent manganese anti-site defects in praseodymium position with increasing x.



中文翻译:

自掺杂Pr 1- x MnO 3 +δ锰矿的电子结构和磁性能:XANES和EXAFS研究。与AB位置掺杂的钙钛矿比较

 通过X射线吸收光谱研究了Mn K-,Mn L-和O K-边缘的自掺杂Pr 1- x MnO 3 +δx = 0.0和0.2)钙钛矿的局部电子和晶体结构。随着x的增加,Mn K边缘向更高的能量移动,这表明平均锰价的增加,这反过来导致磁化强度的增加。Mn L边缘光谱显示分为L 3(2 p 3/2)和L 2(2 p 1/2)是由岩心孔自旋轨道耦合引起的峰值。2 p 3/2和2 p 1/2峰的强度随x的增加而增加这与磁化强度的增加相关,并且是由于O 2 p与Mn 3 d轨道之间的杂化变化所致。改变X不影响Ø ķ指示费米能级没有变化-预边缘光谱。自掺杂锰铁矿和钙钛矿AB O 3的AB位掺杂的氧化物的磁性能与电子结构的关系差异带下划线的单元格。EXAFS光谱的傅立叶变换表明,随着x的增加,氧和的含量降低,position位置上三价锰反位缺陷的形成。

更新日期:2021-05-23
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