First-principles study of thermal properties of 3C SiC
β Scribed by K. Karch; P. Pavone; A.P. Mayer; F. Bechstedt; D. Strauch
- Publisher
- Elsevier Science
- Year
- 1996
- Tongue
- English
- Weight
- 198 KB
- Volume
- 219-220
- Category
- Article
- ISSN
- 0921-4526
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π SIMILAR VOLUMES
We have performed first principles calculations of intrinsic point defects and Frenkel pairs in cubic silicon carbide, using generalized gradient approximation. The considered Frenkel pairs have been obtained from a previous work on the determination of threshold displacement energies [G. Lucas, L.
## Abstract The structural and electronic properties of layered C~3~N compound have been studied using ab initio pseudopotential densityβfunctional method within the localβdensity approximation. Total energy, lattice constant, band structure, and electron density of state are calculated. Among thre