Full-Text Search:
Home|Journal Papers|About CNKI|User Service|FAQ|Contact Us|中文
《Journal of Functional Materials》 2005-08
Add to Favorite Get Latest Update

Calculation based upon the function theory in Ga-doping ZnO crystall

ZHANG Fu-chun~(1,2),DENG Zhou-hu~1,YAN Jun-feng~1,WANG Xue-wen~1,ZHANG ZHi-yong~1 (1.Department of Electronics,Northwest University,Xi'an 710069,China; 2.College of Physics & Electronic Information,Yan'an University,Yan'an 716000,China)  
The geometry structure of ZnO crystal was optimized about a series of Ga-doped cases,was performed by adopting the method of ultrasoft pseudopotential technology of total energy-plane wave based upon the density function theory(DFT),and the parameters and properties of structure were given,the theory data were offered for the research of doped changing parameter in ZnO.The calculation of total energy,energy band structure,and total electronic density of states and partial density of states of ZnO were carried out,Ga-doping effects on electronic and structural properties of ZnO crystal.
【Fund】: 国家自然科学基金资助项目(10271093 60472068)
【CateGory Index】: TN304;
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