Ge-Si intermixing at the Ge/Si(001) surface

Jun-Hyung Cho, Myung Ho Kang

Research output: Contribution to journalArticle

27 Scopus citations


Ge-Si intermixing at the Ge/Si(001) surface is studied for 0.5-ML and 1-ML Ge coverages by using pseudopotential density-functional theory. We calculate the total energies of various Ge-Si intermixing configurations and estimate the possibility of Ge interdiffusion in the thermodynamic regime. We find that, while most of Ge atoms stay in the surface layer at room temperature, Ge interdiffusion tends to increase with temperature. Our results not only provide a quantitative understanding of recent experimental observations of high-temperature Ge interdiffusion at the Ge/Si(001) surface, but also demonstrate that there is a strong “site selectivity” of Ge arising from the dimerized surface reconstruction.

Original languageEnglish
Pages (from-to)1688-1691
Number of pages4
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number3
StatePublished - 2000 Jan 1

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