作者: Jiao Lin , Ming-Hsien Lee , Zhi-Ping Liu , Chuangtian Chen , Chris J. Pickard
DOI: 10.1103/PHYSREVB.60.13380
关键词:
摘要: Electronic structure calculations of β− BaB 2 O 4 from first principles are performed based on a plane-wave pseudopotential method, and the linear optical properties are then obtained. …