Reconstructions of Ir(110) and (100): An ab initio study

被引：44

作者：

Filippetti, A ^{[1
]}

Fiorentini, V ^{[1
]}

机构：

[1] UNIV CAGLIARI,DIPARTIMENTO SCI FIS,I-09124 CAGLIARI,ITALY

来源：

SURFACE SCIENCE | 1997年 / 377卷 / 1-3期

关键词：

density functional calculations; faceting; iridium; low index single crystal surfaces; rhodium; surface relaxation and reconstruction; surface stress;

D O I：

10.1016/S0039-6028(96)01374-X

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Prediction criteria for surface reconstructions are discussed, with reference to ab initio calculations of the (110)-1 x 2 missing-row and (100)-5 x 1 quasi-hexagonal reconstructions of Ir and Rh.

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收藏

页码：112 / 116

页数：5

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