Compression behavior and spectroscopic properties of insensitive explosive 1,3,5-triamino-2,4,6-trinitrobenzene from dispersion-corrected density functional theory

Su Yan¹, Fan Junyu¹, Zheng Zhaoyang², Zhao Jijun^{1, †}, Song Huajie^{3, ‡}

(color online) Partial density of states of TATB at (a) 0 and (b) 30 GPa. The blue vertical dotted line indicates the Fermi level.