Quantum Statistical Approach to Debye-Waller Factors in EXAFS, EELS and ARXPS. I. Anharmonic Contribution in Plane-Wave Approximation
Quantum Statistical Approach to Debye-Waller Factors in EXAFS, EELS and ARXPS. I. Anharmonic Contribution in Plane-Wave Approximation
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EXAFS、EELS 和 ARXPS 中德拜-沃勒因子的量子统计方法。
DOI：
10.1143/jpsj.62.4108
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发表时间：
1993
影响因子：
1.7
通讯作者：
T. Miyanaga
中科院分区：
文献类型：
--
作者：
T. Fujikawa;T. Miyanaga
在平面波近似下，考虑了三次和四次非谐性，讨论了EXAFS、EELFS和ARXPS的温度依赖性。首先，我们应用累积量展开，其展开项被写在相应的低阶矩和累积量。其次，我们系统地应用温度绿色函数技术计算了具有平移对称性的完整晶体的这些矩。进一步讨论了这些累积量的高低温行为，并描述了它们的真实的空间表示，与广泛使用的经典表示进行了比较。这种真实的空间表示不需要平移对称性，并讨论了经典的局部空间积分公式的适用性。
Temperature dependence of EXAFS, EELFS and ARXPS is discussed in the framework of plane wave approximation, where we take the cubic and quartic anharmonicity into account. First we apply cumulant expansion whose expanded terms are written in terms of corresponding lower order moments and cumulants. Secondly we apply temperature Green's function technique systematically to calculate these moments for perfect crystals with translational symmetry. We furthermore discuss high and low temperature behavior of these cumulants, and also describe real space representation of them in comparison with widely used classical expression. This real space representation needs no translation symmetry, and we discuss the applicability of the classical local space integral formula.