Ab initio calculations of antimony sulphide nanowire

Electronic and optical properties of core–shell InAlN nanorods: a comparative study via LDA, LDA-1/2, mBJ, HSE06, G0W0 and BSE methods

“…57,60 Apart from band gaps, optical properties of several materials have been obtained with mBJ, [61][62][63][64][65][66] including III-V semiconductors, 66,67 and mBJ at least improves over PBE when compared with experiment. 66 Studies employing mBJ for nanowires have been conducted as well, [68][69][70][71] some of which have reported nice agreement with measurements. 70,71 It it, thus, important to verify how mBJ performs for studying core-shell InAlN NRs.…”