搜索
Effects of rare earth adsorption on electronic structure and optical properties in beta-Si3N4 ceramics from first principles
发布时间：2025-04-30
点击次数：
- 发布时间：
- 2025-04-30
- 论文名称：
- Effects of rare earth adsorption on electronic structure and optical properties in beta-Si3N4 ceramics from first principles
- 发表刊物：
- 《RSC Advances 》（中科院 3区）
- 摘要：
- Electronic structure and optical properties of silicon nitride adsorbed by rare earths are explored by density functional theory. The fully relaxed structural parameters are found to be in good accordance with experimental data. Covalent character of polar covalent bonds by rare earth adsorption is in the order of Gd, Yb, Sc, Sm, La and Lu, which is verified by population values. Gd, Yb, Sc and La adsorption systems may exhibit longer life in applications as dielectric materials in the low energy regions due to low static dielectric constant and loss, as well as transparent type characteristic exhibited in visible regions.
- 合写作者：
- Wei, Y;Wang,H;Lu, X;Wen, J;Niu, M;Fan, X;Jia, S*
- 是否译文：
- 否
- 发表时间：
- 2014-09-30
