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

SURFACE SCIENCE

卷:377

Article; Proceedings Paper

Filippetti, A ; Fiorentini, V

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

DOI  :  10.1016/S0039-6028(96)01374-X

来源: Elsevier

【 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.

【 授权许可】

Free