20 likes | 212 Views
Y 2 Si 2 O 7. Y 2 SiO 5. 2(Y 2 O 3 ). 3(SiO 2 ). 1. α -SiO 2. Y 2 [SiO 4 ] 6 N 2. Y 4 Si 2 O 7 N 2. YSiO 2 N. Y 2 Si 3 N 4 O 3. Si 2 N 2 O. 4(YN). Si 3 N 4. 2. Y 2 O 3. 3. β -Si 3 N 4. 4. Si 2 N 2 O. 5. Y 2 Si 2 O 7. 6. Y 2 SiO 5. 7. Y 2 Si 3 N 4 O 3. c. b.
E N D
Y2Si2O7 Y2SiO5 2(Y2O3) 3(SiO2) 1. α-SiO2 Y2[SiO4]6N2 Y4Si2O7N2 YSiO2N Y2Si3N4O3 Si2N2O 4(YN) Si3N4 2. Y2O3 3. β-Si3N4 4. Si2N2O 5. Y2Si2O7 6. Y2SiO5 7. Y2Si3N4O3 c b 8. Y4Si2O7N2 9. YSiO2N 10. Y10[SiO4]6N2 c o a b a c c c o a o b o b a b b a c o c a o o b c a b a c b o o c b c a o a Electronic structure and Bonding in Y-Si-O-N SystemWai-Yim Ching, University of Missouri-Kansas City, DMR-0010062 The electronic structure, bonding and optical properties of the ten binary (α-SiO2, Y2O3, β-Si3N4), ternary (Si2N2O, Y2Si2O7, Y2SiO5)& quaternary (Y2Si3N4O3,Y4Si2O7N2, YSiO2N, Y10(SiO4)6N) crystals in the Y-Si-O-N system are studied by ab initio methods. The calculated results are discussed in the context of specific local bonding configura-tions between cations (Y and Si) and anions (O and N), and their implications on the structure and bonding in the intergranular glassy films in polycrystalline Si3N4. The results of a 5th N-rich quaternary crystal Y3Si5N9O has been completed (W. Y. Ching, P. Rulis, Phys. Rev. B72, in press, 2005). These comprehensive studies add to the fundamental understanding of complex ceramics and their microstructures. Wai-Yim Ching, J. Amer. Ceram. Soc., 87[11],1996-2013 (2004) (feature article)