Atomic-scale characterization of the SrTiO3 Σ3 (112) [(1)over-bar10] grain boundary

被引:17
作者
Dudeck, K. J. [1 ]
Benedek, N. A. [2 ,3 ]
Finnis, M. W. [2 ,3 ]
Cockayne, D. J. H. [1 ]
机构
[1] Univ Oxford, Dept Mat, Oxford OX1 3JA, England
[2] Univ London Imperial Coll Sci Technol & Med, Dept Mat, London SW7 2AZ, England
[3] Univ London Imperial Coll Sci Technol & Med, Dept Phys, London SW7 2AZ, England
来源
PHYSICAL REVIEW B | 2010年 / 81卷 / 13期
基金
加拿大自然科学与工程研究理事会;
关键词
SPHERICAL-ABERRATION; STRONTIUM-TITANATE; MICROSCOPY;
D O I
10.1103/PhysRevB.81.134109
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The strontium titanate Sigma 3 (112) [(1) over bar 10] grain boundary has been investigated using aberration-corrected high-resolution transmission electron microscopy and exit wave-function reconstruction. By quantitatively comparing the experimental exit wave phase with that expected from relaxed model structures obtained by density-functional theory, it has been possible to differentiate between two proposed structures not significantly different in their calculated energies, and to deduce information about three-dimensional atomic arrangements near the boundary using the reconstructed exit wave-function phase.
引用
收藏
页数:6
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