THEORETICAL PREDICTION AND DIRECT OBSERVATION OF THE 9R STRUCTURE IN AG

被引：157

作者：

ERNST, F ^{[1
]}

FINNIS, MW ^{[1
]}

HOFMANN, D ^{[1
]}

MUSCHIK, T ^{[1
]}

SCHONBERGER, U ^{[1
]}

WOLF, U ^{[1
]}

METHFESSEL, M ^{[1
]}

机构：

[1] MAX PLANCK GESELL,FRITZ HABER INST,W-1000 BERLIN 33,GERMANY

来源：

PHYSICAL REVIEW LETTERS | 1992年 / 69卷 / 04期

关键词：

D O I：

10.1103/PhysRevLett.69.620

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Molecular-dynamics simulations of the SIGMA-3[110](211) twin boundary in Ag predict a thin (1 nm) boundary phase of the 9R (alpha-Sm) structure. High-resolution electron microscopy shows the presence of the predicted structure. We also calculate the energy ab initio for several hypothetical structures of Cu and Ag. Low energies of the 9R structure and other polytypes, low experimental stacking-fault energies, and the hcp-fcc energy difference are correlated and explained in terms of an effective nearest-neighbor Ising interaction.

引用

页码：620 / 623

页数：4

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