Reconstructions of Ir(110) and (100): An ab initio study
[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.
[发布日期] 1997-04-20 [发布机构]
[效力级别] Proceedings Paper [学科分类]
[关键词] density functional calculations;faceting;iridium;low index single crystal surfaces;rhodium;surface relaxation and reconstruction;surface stress [时效性]
