First-principles insights on mechanical and electronic properties of TiX (X = C, N) in β-Si3N4 based ceramics

First-principles insights on mechanical and electronic properties of TiX (X = C, N) in β-Si3N4 based ceramics

The mechanical and electronic properties of β-Si3N4, TiC-Si3N4 and TiN-Si3N4 ceramics are investigated using density functional theory implemented with GGA/PBE functional. The pristine β-Si3N4 exhibits fracture for a strain of 10%. However, TiC-Si3N4 and TiN-Si3N4 ceramics exhibits fracture for a st...

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Bibliographic Details
Main Authors: Harsha Varthan Shanmugakumar, Nagarajan Veerappan, Chandiramouli Ramanathan
Format: Article
Language:English
Published: University of Novi Sad 2016-09-01
Series:Processing and Application of Ceramics
Subjects:
β-Si3N4
ceramics
elastic constant
modulus
band gap
Online Access:http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2033%2004.pdf

Internet

http://www.tf.uns.ac.rs/publikacije/PAC/pdf/PAC%2033%2004.pdf

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