Raman spectra and X-ray diffraction of tuite at various temperatures
Raman spectra and X-ray diffraction of tuite at various temperatures
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不同温度下的拉曼光谱和X射线衍射
DOI：
10.1007/s00269-011-0436-1
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发表时间：
2011-05
影响因子：
1.4
通讯作者：
Ito Eiji
中科院分区：
文献类型：
--
作者：
Zhai Shuangmeng;Xue Weihong;Lin Chung-Cherng;Wu Xiang;Ito Eiji
本文研究了γ-Ca_3（PO_4）_2的高温拉曼光谱和热膨胀。本文研究了常压下80 ~ 973 K温度范围内温度对合成钛铁矿拉曼光谱的影响。随着温度的升高，所有观察到的Tuite谱带的拉曼频率不断降低。对拉曼谱带温度依赖性的定量分析表明，在当前温度范围内，PO 4的伸缩模（ν 3和ν1）的拉曼频率变化快于弯曲模（ν 4和ν2），这可能是由于高温下PO 4四面体的结构演化所致.用X射线衍射法研究了298 ~ 923 K温度范围内的热膨胀。对晶胞参数和体积进行了分析，得到V、a和c的热膨胀系数分别为3.67（3）、1.18（1）和1.32（3）× 10− 5 K − 1。热膨胀表现出轴向各向异性，沿着轴的膨胀系数较大。利用现有的高温拉曼谱和热膨胀系数，结合前人的等温体积模量和高压拉曼谱的结果，计算了Tuite的等温和等压模Grüneisen参数和内禀非谐性。
High-temperature Raman spectra and thermal expansion of tuite, γ-Ca3(PO4)2, have been investigated. The effect of temperature on the Raman spectra of synthetic tuite was studied in the range from 80 to 973 K at atmospheric pressure. The Raman frequencies of all observed bands for tuite continuously decrease with increasing temperature. The quantitative analysis of temperature dependence of Raman bands indicates that the changes in Raman frequencies for stretching modes (ν3and ν1) are faster than those for bending modes (ν4and ν2) of PO4in the present temperature range, which may be attributed to the structural evolution of PO4tetrahedron in tuite at high temperature. The thermal expansion of tuite was examined by means of in situ X-ray diffraction measurements in the temperature range from 298 to 923 K. Unit cell parameters and volume were analyzed, and the thermal expansion coefficients were obtained as 3.67 (3), 1.18 (1), and 1.32 (3) × 10−5K−1forV,a,andc, respectively. Thermal expansion of tuite shows an axial anisotropy with a larger expansion coefficient along thec-axis. The isothermal and isobaric mode Grüneisen parameters and intrinsic anharmonicity of tuite have been calculated by using present high-temperature Raman spectra and thermal expansion coefficient combined with previous results of the isothermal bulk modulus and high-pressure Raman spectra.
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影响因子：
3.1
作者：
Loursn LEvreN'eNo;CHeRtEs T. PREwrrr
通讯作者：
Loursn LEvreN'eNo;CHeRtEs T. PREwrrr
影响因子：
1.4
作者：
T. Chaplin;Nancy L. Ross;Bruno Reynard
通讯作者：
T. Chaplin;Nancy L. Ross;Bruno Reynard
影响因子：
4.6
作者：
S. Zhai;M. Kanzaki;T. Katsura;E. Ito
通讯作者：
S. Zhai;M. Kanzaki;T. Katsura;E. Ito
影响因子：
2.3
作者：
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通讯作者：
J. K. Murayama;Sento Nakai;Manabu Kato;M. Kumazawa
影响因子：
1.4
作者：
P. Richet;B. Mysen;J. Ingrin
通讯作者：
P. Richet;B. Mysen;J. Ingrin