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

页数：6

共 17 条

[1] A computational study of twist boundary structures in strontium titanate [J].