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Paper Information

Journal:   JOURNAL OF OPERATIONAL RESEARCH AND ITS APPLICATIONS (JOURNAL OF APPLIED MATHEMATICS)   WINTER 2006 , Volume 2 , Number 7; Page(s) 72 To 81.
 
Paper: 

STUDY OF STRUCTURAL PROPERTIES OF CATIO3 BY SIMULATION

 
 
Author(s):  AHMADI MOHAMMAD HADI, MOUSAVI SEYED JAVAD, CHERAGHCHI HOSSEIN
 
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Abstract: 
Structural properties of CaTiO3 have been calculated by first principles in framework of density functional theory. This is done by solving many body problem Schrodinger equations. Analytical solving of many body problems is very hard than we should use computational methods with the aim of some useful pakage such as WIEN and VASP. In this paper we have calculated band structure and some of electronic properties of CaTiO3. The results are in good agreement with expriment.
 
Keyword(s): PROSKITE, BAND STRUCTURE, ELECTRONIC PROPERTIES, ENERGY GAP, TITANAT CALCIUM, SIMULATION
 
References: 
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