First-principles study of structural, electronic, elastic, and thermal properties of Imm2-BC*

Project supported by the National Basic Research Program of China (Grant No. 2013CB632900), the Science and Technology Planning Project of Sichuan Province, China (Grant Nos. 2018JY0422 and 2018JY0325), the Department of Education of Sichuan Province, China (Grant No. 18ZA0290), and the Doctor Research Start-up Foundation of Panzhihua University, China (Grant No. 0210600049).

Li Qiang1, †, Wang Zhen-Ling1, Yu Yu-Cheng1, Ma Lan1, Yang Shao-Li1, Wang Hai-Bo1, Zhang Rui2
       

Simulated (a) XRD and (b) Raman spectra for Imm2 BC.