تقرير
Stoichiometric reconstruction of the Al$_{2}$O$_{3}$(0001) surface
| العنوان: | Stoichiometric reconstruction of the Al$_{2}$O$_{3}$(0001) surface |
|---|---|
| المؤلفون: | Hütner, Johanna I., Conti, Andrea, Kugler, David, Mittendorfer, Florian, Kresse, Georg, Schmid, Michael, Diebold, Ulrike, Balajka, Jan |
| سنة النشر: | 2024 |
| المجموعة: | Condensed Matter Physics (Other) |
| مصطلحات موضوعية: | Condensed Matter - Materials Science, Physics - Chemical Physics |
| الوصف: | Macroscopic properties of materials stem from fundamental atomic-scale details, yet for insulators, resolving surface structures remains a challenge. The basal (0001) plane of ${\alpha}$-Al$_{2}$O$_{3}$ was imaged with noncontact atomic force microscopy with an atomically-defined tip apex. The surface forms a complex $({\sqrt31} {\times} {\sqrt31})R{\pm}9{\deg}$ reconstruction. The lateral positions of the individual O and Al surface atoms come directly from experiment; how these connect to the underlying crystal bulk was determined based on computational modeling. Before the restructuring, the surface Al atoms assume an unfavorable, threefold planar coordination; the reconstruction allows a rehybridization with subsurface O that leads to a substantial energy gain. The reconstructed surface remains stoichiometric, Al$_{2}$O$_{3}$. |
| نوع الوثيقة: | Working Paper |
| URL الوصول: | http://arxiv.org/abs/2405.19263 |
| رقم الأكسشن: | edsarx.2405.19263 |
| قاعدة البيانات: | arXiv |
| الوصف غير متاح. |