An example of a tiny Jahn-Teller energy producing a large Jahn-Teller effect

摘要: In its most dramatic manifestation the Jahn-Teller (JT) effect couples vibrations to orbital electrons produce a less symmetric molecular or crystal structure than expected from pure electronic considerations, in what is usually called distortion. However, vibronic coupling does not need be so large effects optical spectra. present paper we use two independent numerical methods (Born-Oppenheimer and Lanczos) calculate low-temperature infrared emission spectra of Fe 2 + as substitutiional impurity semiconductors with zinc-blende structure.