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Calculation of the Energy of Extend Defects in Zinc by the Semi-Empirical Tight-Binding Method
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Modified Stillinger-Weber Potential for Planar Defects Modeling in GaN
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Relative Stability of Two Structures of the Σ=11<011> Tilt Grain Boundary in Silicon and Germanium by the Tight-Binding Method
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Ab Initio Study of Grain Boundaries in SiC and Si
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TEM Investigation of Metal-Oxide Interfaces in the Ni-20Cr System
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The Character of Steps on Gamma/Alpha-2 Interfaces in Lamellar TiAl-Based Alloys
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The Atomic Structure of Tilt Grain Boundaries in AIN/GaN Layers Grown on (0001) Sapphire: A Case Study, the Σ31 (11-4-70) Symmetric Grain Boundary
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Grian Boundary Structure in BaTiO₃ with a Small Excess of Ti-Site Dopant
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HomeMaterials Science ForumMaterials Science Forum Vols. 294-296Ab Initio Study of Grain Boundaries in SiC and Si

Ab Initio Study of Grain Boundaries in SiC and Si

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Intergranular and Interphase Boundaries in Materials III

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Periodical:

Materials Science Forum (Volumes 294-296)

Pages:

231-234

DOI:

https://doi.org/10.4028/www.scientific.net/MSF.294-296.231

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Online since:

November 1998

Authors:

Masanori Kohyama, Kenji Tanaka

Keywords:

Coincidence Boundary, Density Function Theory (DFT), Electronic Structure, First-Principles Molecular Dynamics Method, High Resolution Electron Microscopy (HREM), Silicon, Silicon Carbide (SiC), Tight-Binding Method

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© 1999 Trans Tech Publications Ltd. All Rights Reserved

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