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[1]江保锋,张纯淼,陈晓航,等.ZnO(0001)Zn极性面上不同单体生长动力学特[J].厦门大学学报(自然科学版),2012,51(4):666.
 JIANG Bao feng,ZHANG Chun miao,CHEN Xiao hang,et al.Dynamical Properties of Homoepitaxy Growth on the Znpolar (0001)[J].Journal of Xiamen University(Natural Science),2012,51(4):666.
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ZnO(0001)Zn极性面上不同单体生长动力学特(PDF)
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《厦门大学学报(自然科学版)》[ISSN:0438-0479/CN:35-1070/N]

卷:
51卷
期数:
2012年第4期
页码:
666
栏目:
研究论文
出版日期:
2012-07-15

文章信息/Info

Title:
Dynamical Properties of Homoepitaxy Growth on the Znpolar (0001)
作者:
江保锋张纯淼陈晓航詹华瀚周颖慧王惠琼康俊勇*
厦门大学 物理与机电工程学院,福建省半导体材料及应用重点实验室,福建 厦门 361005
Author(s):
JIANG BaofengZHANG ChunmiaoCHEN XiaohangZHAN Huahan ZHOU YinghuiWANG HuiqiongKANG Junyong*
Key Laboratory of Semiconductors and Applications of Fujian Province,School of Physics and Mechanical & Electrical Engineering,Xiamen University,Xiamen 361005,China
关键词:
第一性原理ZnO沉积单体生长动力学
Keywords:
firstprinciple calculationZnOdeposition monomergrowth dynamic
分类号:
O 781;O 469
文献标志码:
-
摘要:
通过第一性原理和密度泛函方法,计算了在富锌和富氧条件下形成的Zn原子、ZnO分子、Zn3O1和Zn1O3团簇等不同单体在ZnO(0001)Zn极性面上典型的纤锌矿和闪锌矿结构沉积位的系统总能及其扩散势垒和相互作用能.结果表明,Zn1O3和Zn3O1团簇以及Zn原子单体易于获得纤锌矿结构的ZnO,而ZnO分子的稳定性较弱且易于沉积于闪锌矿位;富锌条件形成的Zn3O1团簇单体或Zn原子单体,有利于在较低温度下获得均匀结构的晶体;Zn3O1团簇单体则会形成具有一定孔洞的单一相晶体,而Zn1O3单体易形成致密的晶
Abstract:
In the paper,we calculated the total energies,diffusion barriers and interactive energies of different monomers deposited on the wurtzite sites (WS) and zincblende sites (ZS) by firstprinciple calculation and density function theory. The monomers contain Zn atom and Zn3O1 cluster formed by Znrich condition and ZnO molecule and Zn1O3 cluster formed by Orich condition. The results indicated that the monomers of Zn atom,Zn3O1 and Zn1O3 cluster would easily form wurtzite structure ZnO,while ZnO molecule was inclined to deposit on the ZS and was less stable. Moreover,Zn atom and Zn3O1 cluster more easily form single phase crystal with flat and homogeneous surface and some vacancies at lower temperature. However,Zn1O3 cluster forms compact structure. Besides,Zn atom,Zn3O1 and Zn1O3 cluster would more easily nucleate,but ZnO molecule is relatively difficult to aggregate.

参考文献/References:

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备注/Memo

备注/Memo:
收稿日期:20120129基金项目: 国家重点基础研究发展计划(973)项目(2011CB925600,2012CB619301);国家自然科学基金项目(90921002,60827004,61076084)*通信作者:jykang@xmu.edu.cn
更新日期/Last Update: 2012-07-15