Simple correction to bandgap in IV and III-V semiconductors: an improved first-principles local density functional theory

Sujoy Datta, Prashant Singh, Chhanda B. Chaudhuri +4

We report results from a fast, efficient, and first-principles full-potential N${}^{th}$-order muffin-tin orbital (FP-NMTO) method combined with van Leeuwen-Baerends correction to lo…