Theory of x-ray scattering in high-pressure electrides

被引：8

作者：

Fortmann, C. ^{[1
,2
]}

Niemann, C. ^{[1
]}

Glenzer, S. H. ^{[2
]}

机构：

[1] Univ Calif Los Angeles, Dept Phys & Astron, Los Angeles, CA 90095 USA

[2] Lawrence Livermore Natl Lab, Livermore, CA 94551 USA

来源：

PHYSICAL REVIEW B | 2012年 / 86卷 / 17期

关键词：

THOMSON SCATTERING; DENSE;

D O I：

10.1103/PhysRevB.86.174116

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We report on a theoretical model for the calculation of x-ray scattering from high-pressure electrides. By treating interstitial electrons as effective anions forming a sublattice within the crystal, we explicitly account for Bragg reflections from the sublattice as well as for scattering interferences between the ion lattice and the anion sublattice. The additional reflections and interferences lead to significant modifications of the static structure factor as compared to the pure lattices. Our results are important for accurate calculations of material properties in the high-pressure phase and allow for direct experimental verification of electride phases in matter at ultrahigh pressures through angle-resolved x-ray scattering.

引用

页数：5

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