Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Functional Materials》 2013-06
Add to Favorite Get Latest Update

Theoretical study of wurtzite ZnO electronic structure by doping with alkaline earth element

LIN Lin1,YANG You-chang2,YANG Ju-cai3 (1.College of Sciences,Inner Mongolia University of Technology,Hohhot 010051,China; 2.Department of Physics,Zunyi Normal College,Zunyi 563002,China; 3.School of Energy and Power Engineering,Inner Mongolia University of Technology,Hohhot 010051,China)  
The electronic structure of pure and an alkaline earth atom doped wurtzite ZnO has been investigated by using first-principles ultrasoft pseudopotential method.The calculation indicates that the band gap of ZnO narrowing with atomic number increasing,but still larger than the band gap undoped(except Ra),which shows the metallicity of alkaline earth stronger than the Zn's and that causes the level of electrons density distribution of oxygen towards the alkaline earth to become larger than it was Zn before.
【Fund】: 国家自然科学基金资助项目(11047023);; 内蒙古工业大学科学研究资助项目(X201221)
【CateGory Index】: O469
Download(CAJ format) Download(PDF format)
CAJViewer7.0 supports all the CNKI file formats; AdobeReader only supports the PDF format.
©2006 Tsinghua Tongfang Knowledge Network Technology Co., Ltd.(Beijing)(TTKN) All rights reserved