Proceedings of the 7th National Conference on Functional Materials and Applications (FMA 2010 E-BOOK)

Changsha,China,10.16-10.18,2010

ISBN: 978-1-935068-41-9 Scientific Research Publishing, USA

E-Book 2313pp Pub. Date: October 2010

Category: Chemistry & Materials Science

Price: $360

Title: First-Principle Studies on the Electronic Structure and SAW Properties of CNGS Crystals
Source: Proceedings of the 7th National Conference on Functional Materials and Applications (FMA 2010 E-BOOK) (pp 1085-1090)
Author(s): Wen-qi Huang, Faculty of Science, Beijing Information Science and Technology University, Beijing 100085, China
Hong Yang, Faculty of Science, Beijing Information Science and Technology University, Beijing 100085, China
Abstract: The partial density of state, hybridization between atoms and bonding strength of CNGS are analyzed in terms of the precisely calculated band structure, density of state and contour map of charge density. We sorted the bonds with strength and found the greatest contribution for piezoelectric characteristics of CNGS is from Ga-O,Nb-O and Si-O bonds; We caculated the phase velocity of CNGS based on two-dimensional search, and analyzed the distribution characteristics, the maximal velocity is 3230.568m/s at (0 ?,40 ?,90 ?),the minimum value is 2760.35m/s at (0 ?,50 ?,90 ?).
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