First-Principles Study of Ceramic Interfaces: Structures and Electronic and Mechanical Properties

Masanori Kohyama; Shingo Tanaka

doi:10.4028/www.scientific.net/KEM.403.205

Paper Titles

Microstructural and Mechanical Properties of Ti₃SiC₂ Composites
p.189

Effect of HfO₂ Coating Films on Oxidation Resistance of SiC Ceramics
p.193

High Temperature Oxidation of SiC Powder in Oxidizing Atmosphere Containing Water Vapor
p.197

Applying SiC Nanoparticles to Functional Ceramics for Semiconductor Manufacturing Process
p.201

First-Principles Study of Ceramic Interfaces: Structures and Electronic and Mechanical Properties
p.205

A New Technology with Porous Materials; Progress in the Development of the Diesel Vehicle Business
p.207

Synthesis of Nano-Sized SiC Powders by Carbothermal Reduction
p.211

Passive Oxidation Behavior of ZrB₂-SiC Eutectic Composite Prepared by Arc Melting
p.217

Fabrication and Mechanical Properties of TiN Nanoparticle-Dispersed Si₃N₄ Ceramics from Si₃N₄-Nano TiO₂ Composite Particles Obtained by Mechanical Treatment
p.221

HomeKey Engineering MaterialsKey Engineering Materials Vol. 403First-Principles Study of Ceramic Interfaces:...

First-Principles Study of Ceramic Interfaces: Structures and Electronic and Mechanical Properties

Abstract:

First-principles calculations based on density-functional theory are powerful tools to investigate the structure and properties of ceramic interfaces. The Schottky-barrier heights of SiC/metal and Al2O3/metal interfaces have been examined, and significant effects of the interface stoichiometry (termination species) and metallic species have been found. Ab initio tensile tests have been applied to Al2O3/Cu and Al2O3/Ni interfaces, where the strength and features of failure also greatly depend on the interface stoichiometry and metallic species.

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Periodical:

Key Engineering Materials (Volume 403)

Pages:

205-206

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.403.205

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Online since:

December 2008

Authors:

Masanori Kohyama, Shingo Tanaka

Keywords:

Ceramic Interface, Interface Stoichiometry, Metal Interface, Schottky Barrier Height SBH, Tensile Strength

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References

[1] M. Kohyama, S. Tanaka, K. Okazaki and T. Akita, Mater. Trans. 48 (2007) 675.

Google Scholar

[2] T. Tamura, G. -H. Lu, R. Yamamoto, M. Kohyama, S. Tanaka and Y. Tateizumi, Model. Simul. Mater. Sci. Eng. 12 (2004) 945.

Google Scholar

[3] S. Ishibashi, T. Tamura, S. Tanaka, M. Kohyama and K. Terakura, unpublished.

Google Scholar

[4] S. Tanaka and M. Kohyama, Phys. Rev. B 64 (2001) 235308; Appl. Surf. Sci. 216 (2003) 471.

Google Scholar

[5] S. Shi, S. Tanaka and M. Kohyama, Mater. Trans. 47 (2006) 2696; J. Am. Ceram. Soc. 90 (2007) 2429.

Google Scholar

[6] S. Tanaka, T. Tamura, K. Okazaki, S. Ishibashi and M. Kohyama, Mater. Trans. 47 (2006) 2690; Phys. Stat. Sol. (c) 4 (2007) 2972.

Google Scholar

[7] M. Kohyama, Phys. Rev. B 65 (2002) 184107.

Google Scholar

[8] R. Yang, S. Tanaka and M. Kohyama, Phil. Mag. 85 (2005) 2961; S. Tanaka, R. Yang and M. Kohyama, Phil. Mag. 86 (2006) 5123.

Google Scholar

[9] S. Shi, S. Tanaka and M. Kohyama, Phys. Rev. B 76 (2007) 075431.

Google Scholar

[10] T. Mizoguchi, T. Sasaki, S. Tanaka, K. Matsunaga, T. Yamamoto, M. Kohyama and Y. Ikuhara, Phys. Rev. B 74 (2006) 235408.

Google Scholar

[11] G. -H. Lu, Y. Zhang, S. Deng, T. Wang, M. Kohyama, R. Yamamoto, F. Liu, K. Horikawa and M. Kannno, Phys. Rev. B 73 (2006) 224115.

Google Scholar