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Optical and Mechanical Properties of α/β Composite Sialons

✍ Scribed by Mark I. Jones; Hideki Hyuga; Kiyoshi Hirao

Book ID
108575540
Publisher
John Wiley and Sons
Year
2003
Tongue
English
Weight
387 KB
Volume
86
Category
Article
ISSN
0002-7820

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✍ L. Benco; J. Hafner; Z. Lences; P. Sajgalik 📂 Article 📅 2008 🏛 Elsevier Science 🌐 English ⚖ 472 KB

A 2 × 2 × 1 supercell of ␣-Si 3 N 4 is used to model Y-doped ␣-SiAlON's (silicoalumino oxonitrides). Ab initio total energy calculations are performed at the DFT (GGA) level. A full relaxation of atomic positions is performed for stoichiometric ␣-Si 3 N 4 and for a series of substituted structures w