DSpace
 

Tai Nguyen So - Vietnam National University, Ha Noi - VNU >
ĐẠI HỌC QUỐC GIA HÀ NỘI - VIETNAM NATIONAL UNIVERSITY, HANOI >
BÀI BÁO ĐĂNG TRÊN SCOPUS >
2001-2005 VNU-DOI-Publications >

Search

Please use this identifier to cite or link to this item: http://tainguyenso.vnu.edu.vn/jspui/handle/123456789/7110

Title: Total energy calculation of perovskite, BaTiO3, by self-consistent tight binding method
Authors: B.T., Cong
P.N.A., Huy
Schelling, P.K.
Halley, J.W.
Keywords: BaTiO3
Perovskite
Tight binding
Issue Date: 2003
Publisher: Bulletin of Materials Science
Citation: Volume 26, Issue 1, Page 155-158
Abstract: We present results of numerical computation on some characteristics of BaTiO3 such as total energy, rgy, lattice constant, density of states, band structure etc using self-consistent tight binding method. Besides strong Ti-O bond between 3d on titanium and 2p orbital on oxygen states, we also include weak hybridization between the Ba 6s and O 2p states. The results are compared with those of other more sophisticated methods.
URI: http://tainguyenso.vnu.edu.vn/jspui/handle/123456789/7110
ISSN: 2504707
Appears in Collections:2001-2005 VNU-DOI-Publications

Files in This Item:

File Description SizeFormat
873.pdf43.8 kBAdobe PDFView/Open

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

 

Valid XHTML 1.0! DSpace Software Copyright © 2002-2010  Duraspace - Feedback