Contrasting growth modes of Mn on Ge(100) and Ge(111) surfaces: subsurface segregation versus intermixing |
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Authors: | Zhu Wenguang Weitering H H Wang E G Kaxiras Efthimios Zhang Zhenyu |
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Affiliation: | Condensed Matter Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831, USA. |
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Abstract: | Based on first-principles total energy calculations within density functional theory, we show that a low dose of Mn on Ge(100) initiates in a novel subsurface growth mode, characterized by easy access to, and strong preference for, interstitial sites located between the two topmost Ge layers. Strikingly, such a "subsurfactant action" is preserved even during epitaxial growth of additional Ge layers, analogous to the well-known phenomenon of surfactant action. In contrast, along the [111] orientation, Mn can easily diffuse into the bulk via interstitial sites. These results are discussed within the context of dopant control in dilute magnetic semiconductors. |
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