Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency
Band-Gap Problem in Semiconductors Revisited: Effects of Core States and Many-Body Self-Consistency
A novel picture of the quasiparticle (QP) gap in prototype semiconductors Si and Ge emerges from an analysis based on all-electron, self-consistent, GW calculations. The deep-core electrons are shown to play a key role via the exchange diagram-if this effect is neglected, Si becomes a semimetal. Contrary to current lore, …