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arXiv 1609.07987cond-mat.mtrl-scicond-mat.other
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稀土正铁氧体RFeO3(R = La,Sm,Eu,Gd,Tb,Dy)的拉曼光谱

Raman spectroscopy of rare-earth orthoferrites RFeO3 (R = La, Sm, Eu, Gd, Tb, Dy)

Mads Christof Weber, Mael Guennou, Hong Jian Zhao, Jorge Íñiguez, Rui Vilarinho, Abílio Almeida, Joaquim Agostinho Moreira, Jens Kreisel

摘要:

本文报道了六种稀土正铁氧体RFeO_3(R = La,Sm,Eu,Gd,Tb,Dy)的喇曼散射研究。广泛的偏振拉曼散射SmFeO 3和第一性原理计算的使用,使所观察到的声子模式的振动对称性和原子位移的分配。整个系列的光谱和它们的比较的分配允许相关的声子模式与RFeO3钙钛矿的正交结构畸变。特别是,两个特定的Ag模式的位置与两个FeO 6八面体倾斜角成线性比例,允许整个系列的失真。在与文献的差异,我们发现,这两个八面体的倾斜角规模不同的振动频率,其各自的银模式。这种行为以及倾斜角之间的一般关系,相关模式的频率和离子半径的合理化在一个简单的朗道模型。拉曼光谱和相关的声子模式分配报告提供了参考数据的结构调查的整个系列的正铁氧体。

英文摘要:

We report a Raman scattering study of six rare earth orthoferrites RFeO3, with R = La, Sm, Eu, Gd, Tb, Dy. The use of extensive polarized Raman scattering of SmFeO3 and first-principles calculations enable the assignment of the observed phonon modes to vibrational symmetries and atomic displacements. The assignment of the spectra and their comparison throughout the whole series allows correlating the phonon modes with the orthorhombic structural distortions of RFeO3 perovskites. In particular, the positions of two specific Ag modes scale linearly with the two FeO6 octahedra tilt angles, allowing the distortion throughout the series. At variance with literature, we find that the two octahedra tilt angles scale differently with the vibration frequencies of their respective Ag modes. This behavior as well as the general relations between the tilt angles, the frequencies of the associated modes and the ionic radii are rationalized in a simple Landau model. The reported Raman spectra and associated phonon-mode assignment provide reference data for structural investigations of the whole series of orthoferrites.

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