We propose a single adatom exchange mechanism for surfactant-mediated epitaxial growth through first-principles calculations for the Si epitaxy on a Si(001) surface covered by an As monolayer. The As segregation is initiated by the exchange of a Si adatom with a sublayer As site, with an activation energy of about 0.1 eV which is much lower than the value of similar to 1.0 eV for a dimer exchange. Adatom incorporation occurs with minimum surface diffusion, giving rise to a high nucleation density of two-dimensional islands, in good agreement with experiments.
机构:
Univ Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
Huazhong Univ Sci & Technol, Sch Mat Sci & Engn, Wuhan 430074, Peoples R ChinaUniv Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
Liu, X. -D.
Iimori, T.
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Univ Tokyo, Inst Solid State Phys, Chiba 2778581, JapanUniv Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
Iimori, T.
Nakatsuji, K.
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Univ Tokyo, Inst Solid State Phys, Chiba 2778581, JapanUniv Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
Nakatsuji, K.
Komori, F.
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Univ Tokyo, Inst Solid State Phys, Chiba 2778581, JapanUniv Tokyo, Inst Solid State Phys, Chiba 2778581, Japan
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Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
Boston Univ, Dept Phys, Boston, MA 02215 USABoston Univ, Ctr Polymer Studies, Boston, MA 02215 USA