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標題: Ab initio study on preferred growth of ZnO
作者: Liu, Po-Liang;Siao, Yu-Jin
Contributors: 國立中興大學精密工程研究所
National Chung Hsing University,Graduate Institute of Precision Engineering
Miao-zhen Luo
關鍵字: ZnO;Surface energy;First principle calculations;Epitaxy
日期: 2011-3
Issue Date: 2012-10-19 16:38:05 (UTC+8)
Publisher: Elsevier Ltd.
摘要: First principles density functional theory was used to determine the ZnO preferred orientation. We report that the (2 _1 _1 0)-oriented ZnO surface is more stable than others. ZnO will changes its preferred orientation from (2_1 _1 0) to O-terminated (0 0 0 1) under O-rich conditions. In addition, our results show that the O-terminated ZnO (0 0 0 1) polar surface is the preferred termination of the ZnO (0 0 0 1) surface. Moreover, the [1 1 _2 l] direction of ZnO films is the epitaxial strain stabilized orientation for initiating ZnO {1 1_2 l} planes.
Relation: Scripta Materialia, Volume 64, Issue 6, Page(s) 483-485.
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