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arXiv 0811.4270cond-mat.mtrl-sci
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利用电子能量损失谱中的低损失快速测定LiFePO4中的物相

Fast determination of phases in LiFePO4 using low losses in electron energy-loss spectroscopy

Philippe Moreau, Vincent Mauchamp, Pailloux Frédéric, Florent Boucher

摘要:

实验价电子能量损失谱(VEELS),到Li K边缘,在不同阶段的LixFePO 4上获得的比较第一性原理计算使用密度泛函代码WIEN 2k。在4-7 eV范围内,在FePO 4光谱中识别出大峰,但在LiFePO 4中不存在,这可以允许容易地形成能量过滤图像。该峰的强度对晶体的精确取向不敏感,足以快速确定样品中的现有相,并允许未来的动力学研究。固溶体和两相区也区分使用Fe M2,3 / Li K边缘。

英文摘要:

Experimental valence electron energy loss spectra (VEELS), up to the Li K edge, obtained on different phases of LixFePO4 are compared to first principles calculations using the density functional code WIEN2k. In the 4-7 eV range, a large peak is identified in the FePO4 spectrum, but is absent in LiFePO4, which could allow the easy formation of energy filtered images. The intensity of this peak, non sensitive to the precise orientation of the crystal, is large enough to rapidly determine existing phases in the sample and permit future dynamical studies. Solid solution and two-phases regions are also differentiated using Fe M2,3 / Li K edges.

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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