Interaction energy calculation in wurtzite epitazial MgzZn1-zO alloys

摘要：

In this paper, a theoretical calculation of the miscibility gap taking modified interaction parameter and mismatch strain into account are performed for the MgxZn1-xO ternary compound system using the modified strictly regular solution model. The calculated results shows that the MgxZn1-xO alloys are metastable at the temperatures commonly used for crystal growth and the miscibility gap shifts remarkably into the areas of higher Mg concentration and higher temperature because of the interaction parameter modifiability and strain effect. The strain relaxation is discussed in here synchronously, with the increasing of the strain relaxation, the MgO segregation boundary expands to a bend band region.

关键词： MgO separation MgzZn1-zO alloys free energy strain

作者: X.F.Wang B.Wan K.X.Zhang

作者单位: College of Science,HoHai University,Nanjing 210098,P.R.China

会议类型: 国际会议

会议名称: Third Asia-Pacific International Conference on Computational Methods in Engineering(第三届亚太国际工程中计算方法学术会议暨第九届全国工程中边界元、无网格等数值方法学术会议)(ICOME 2009)

会议地点: 南京

会议语种:英文

页码: 1-11

在线出版日期: 2009-10-18（万方平台首次上网日期，不代表论文的发表时间）