Visualizing charge densities and electrostatic potentials in materials by synchrotron X-ray powder diffraction

被引：50

作者：

Kato, Kenichi ^{[1
]}

Tanaka, Hiroshi ^{[2
]}

机构：

[1] RIKEN SPring 8 Ctr, Sayo, Japan

[2] Shimane Univ, Dept Mat Sci, Matsue, Shimane, Japan

来源：

ADVANCES IN PHYSICS-X | 2016年 / 1卷 / 01期

基金：

日本科学技术振兴机构;

关键词：

Synchrotron X-ray powder diffraction; Debye-Scherrer camera; maximum entropy method; charge density; electrostatic potential; orbital and charge ordering; MAXIMUM-ENTROPY-METHOD; DEBYE-SCHERRER CAMERA; HIGH-RESOLUTION; RIETVELD REFINEMENT; IMAGING PLATES; PETRA III; SPRING-8; DIAMOND; BEAMLINE; MEM;

D O I：

10.1080/23746149.2016.1142830

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

The utilization of synchrotron X-ray powder diffraction (SXPD) has allowed us to better understand materials properties on the basis of charge densities and electrostatic potentials as well as atomic configurations in crystals. This article describes capability of SXPD in visualizing materials properties by a revisit to charge density studies and electrostatic potential imaging in manganese oxides, spin crossover complexes, transition metal cyanides, etc. Results obtained in our studies clearly warrant further research on visualization of electrostatic properties taking into account nanostructure analysis by total scattering.

引用

页码：55 / 80

页数：26

共 70 条

[1] IMAGING PLATES FOR USE WITH SYNCHROTRON-RADIATION [J].