Institute of Engineering Innovation, University of Tokyo, 2-11-16, Yayoi, Bunkyo, Tokyo 113-8656, Japan.
Phys Rev Lett. 2013 Feb 8;110(6):065504. doi: 10.1103/PhysRevLett.110.065504. Epub 2013 Feb 7.
Cubic boron nitride is a promising system for photonics and optoelectronics. Determining the inclusion mechanisms for dopants with a large size mismatch, such as luminous rare-earth elements, is prerequisite to understanding their functional properties and to effective doping control. Combining evidence from subangstrom resolution scanning transmission electron microscopy, imaging simulations, and first-principles calculations, we show that cationic Ce(3+) single dopants are not located at cationic B sites but rather at anionic N sites surrounded by B-site vacancies.
立方氮化硼是光子学和光电领域很有前途的一种材料。要理解其功能特性和实现有效的掺杂控制，就必须确定包括发光稀土元素在内的大尺寸失配掺杂剂的掺入机制。我们结合亚埃分辨率扫描透射电子显微镜、成像模拟和第一性原理计算的证据，表明阳离子 Ce(3+)单掺杂剂不是位于阳离子 B 位，而是位于被 B 位空位包围的阴离子 N 位。
