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Frontiers of Physics

ISSN 2095-0462

ISSN 2095-0470(Online)

CN 11-5994/O4

邮发代号 80-965

2018 Impact Factor: 2.483

Frontiers of Physics  2019, Vol. 14 Issue (2): 23606
A theoretical study of step edge geometry on sapphire(0001) and its effect on ZnO nucleation
Ping Yang, Li-Xin Zhang()
School of Physics, Nankai University, Tianjin 300071, china
 全文: PDF(10115 KB)  

Step-edge-induced nucleation plays a key role in controlling the growth of novel nanostructures and low-dimensional materials. However, it is difficult to experimentally determine the step edge structures of complex metal oxides. In this work, we present a detailed theoretical study of the stability of stoichiometric steps on sapphire(0001). Based on first-principles calculations and excess charge computation by Finnis’ approach, a pair of non-polar step edges are determined to be the most stable. By studying the adsorption characteristics of ZnO and combining previous works, we successfully explained how growth temperature and deposition rate affect the in-plane orientation of ZnO grown on sapphire(0001). The knowledge on the step edge structures and nucleation patterns would benefit the study on step-edge-guided nanostructure growth.

Key wordsstepped sapphire surface    first-principles    excess charge    step-edge-induced nucleation
收稿日期: 2018-07-08      出版日期: 2018-11-29
. [J]. Frontiers of Physics, 2019, 14(2): 23606.
Ping Yang, Li-Xin Zhang. A theoretical study of step edge geometry on sapphire(0001) and its effect on ZnO nucleation. Front. Phys. , 2019, 14(2): 23606.
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