تقرير
Stability of monodomain III-V crystals and antiphase boundaries over a Si monoatomic step
| العنوان: | Stability of monodomain III-V crystals and antiphase boundaries over a Si monoatomic step |
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| المؤلفون: | Gupta, D., Chandrasekharan, S. Pallikkara, Thébaud, S., Cornet, C., Pedesseau, L. |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Physics - Applied Physics, Physics - Chemical Physics, Physics - Computational Physics |
| الوصف: | Here, we compare the stabilities of different III-V crystals configurations on stepped Si substrates, with or without anti-phase boundaries, for abrupt and compensated interfaces, using density functional theory. Thermodynamic stability of the different heterostructures is analyzed with an atomic scale description of charge densities distribution and mechani-cal strain. We show that the configuration where a III-V crystal adapts to a Si monoatomic step through change of charge compensation at the hetero-interface is much more stable than the configuration in which an antiphase boundary is formed. This study thus demonstrates that antiphase boundaries commonly observed in III-V/Si samples are not origi-nating from Si monoatomic step edges but from inevitable kinetically driven coalescence of monophase 3D III-V islands. Comment: 8 pages, 5figures |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2406.09476 |
| رقم الأكسشن: | edsarx.2406.09476 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |