The extended x-ray absorption fine structure (EXAFS) spectroscopy is one of the powerful techniques for investigating local structures of crystalline as well as amorphous materials. It provides different structural information at various high temperatures due to anharmonicity. This work advances the anharmonic correlated Einstein model in EXAFS to investigate how pressure and temperature affect the Debye-Waller factor and thermodynamic parameters of an intermetallic alloy. By using the anharmonic correlated Einstein model, analytical expressions derived include the effective elastic constants, the EXAFS cumulants, the anharmonic factor, and the thermal expansion coefficient under high temperature and pressure effect. The results show that the anharmonicity of the thermal atomic vibration and the consequences of pressure are both essential for the thermodynamic parameters and the EXAFS Debye-Waller factor, as well as showing that the anharmonic contributions are necessary for the...

中文翻译：

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基于EXAFS中非谐相关爱因斯坦模型的温度和压力对金属间合金累积量和热力学参数的影响

扩展的X射线吸收精细结构（EXAFS）光谱学是研究结晶以及非晶材料的局部结构的强大技术之一。由于非谐性，它在各种高温下提供不同的结构信息。这项工作推进了EXAFS中的非谐波相关爱因斯坦模型，以研究压力和温度如何影响金属间合金的德拜-沃勒因子和热力学参数。通过使用非谐相关的爱因斯坦模型，得出的解析表达式包括有效弹性常数，EXAFS累积量，非谐因子以及在高温和高压作用下的热膨胀系数。