Determination of ferro- and antiferroelectricity using the temperature dependence of the pre-edge fetatures in tghe XANES spectra.
Determination of ferro- and antiferroelectricity using the temperature dependence of the pre-edge fetatures in tghe XANES spectra.
复制标题
利用 XANES 光谱中前边缘特征的温度依赖性来确定铁电性和反铁电性。
DOI：
10.1002/pssb.201800050
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
A. ほか6名
中科院分区：
文献类型：
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作者：
Yoshiasa;A. ほか6名
在20-900 K温度范围内测量了ATiO3（A = Sr、Ba和Pb）和PbZrO3钙钛矿型化合物的Ti和Zr K边X射线吸收近边结构（XANES）光谱，并在较宽的温度范围内进行定量比较，以阐明前边峰和肩部的强度如何随温度变化。在铁电和反铁电四方相中，一些峰和肩的强度随着温度的升高而降低，峰顶能量转移到更高能量的一侧。这种偏移可以通过差异光谱中 D2 峰的位置和减少（SrTiO3 增加）来解释。 XANES 中前边峰的峰顶位置并不总是代表独立跃迁到轨道的真实能量，因为几个具有相似能量的轨道重叠。四方SrTiO3相表现出与铁电P4mm四方BaTiO3和PbTiO3钙钛矿相同的行为。肩部的温度依赖性也是一个重要指标。具有局部极地四方应变的相的存在对于材料和地球的固溶体很重要。铁电性和反铁电性的存在可以通过温度相关的 XANES 测量来确定。
The Ti and Zr K‐edge X‐ray absorption near edge structure (XANES) spectra of ATiO3(A = Sr, Ba, and Pb) and PbZrO3perovskite‐type compounds have been measured in the temperature range 20–900 K. Quantitative comparison is performed in a wide temperature range to clarify how the intensities of the pre‐edge peaks and shoulders change with temperature. In the ferro‐ and antiferroelectric tetragonal phases, the intensities of some of the peaks and shoulders decrease with increasing temperature and the peak‐top energies shift to the higher energy side. The shift can be explained by the position and decrease (increase for SrTiO3) of the D2 peak in the difference spectra. The peak‐top position of the pre‐edge peak in XANES does not always represent the true energy for independent transition to an orbital because several orbitals with similar energies overlap. The tetragonal SrTiO3phase shows the same behavior as ferroelectricP4mmtetragonal BaTiO3and PbTiO3perovskite. The temperature dependence of the shoulder is also an important index. The presence of a phase with local polar tetragonal strain is important in materials and the Earth's constituent solid solutions. The existence of ferro‐ and antiferroelectricity can be determined by temperature‐dependent XANES measurements.