Anharmonic interatomic potentials of octahedral Pt-halogen complexes studied by extended x-ray-absorption fine structure

被引：33

作者：

Yokoyama, T ^{[1
]}

Yonamoto, Y ^{[1
]}

Ohta, T ^{[1
]}

Ugawa, A ^{[1
]}

机构：

[1] INST MOL SCI,OKAZAKI,AICHI 444,JAPAN

来源：

PHYSICAL REVIEW B | 1996年 / 54卷 / 10期

关键词：

D O I：

10.1103/PhysRevB.54.6921

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The temperature dependence of Pt L(III)- and I K-edge extended x-ray-absorption fine-structure spectra of octahedrally coordinated Pt X(6)(2-)(X = Cl, Br, and I) complexes has experimentally been investigated not only for the first-nearest-neighbor (NN) shells but for higher NN ones. The second- and third-order cumulants of a radial distribution function in the octahedral system have been evaluated quantum mechanically by employing the interatomic potential including the third-order force constants. The experimentally obtained second-order cumulants agree with the values expected by the vibrational data and the third-order cumulants have successfully given the anharmonic force constants. Contribution of the bending motions to the cumulants of higher NN shells is discussed in detail.

引用

页码：6921 / 6928

页数：8

共 25 条

[1] VIBRATIONAL SPECTRA OF HALIDES AND COMPLEX HALIDES .I. HEXAHALOGENOPLATINATES [J].