First-principles calculations of the second-order optical response coefficients are reported for Ag-III-VI2 compounds with III=Ga, In and VI=S, Se, Te. While both the substitutions of In for Ga and Te for Se or S lower the band gap by similar amounts, the substitution of Se by Te is significantly more favorable for increasing χ(2). The enhancement of χ(2) by a factor 2 from AgGaSe2 to AgGaTe2 is surprising compared to the only modest enhancement obtained in II-VI compounds. The origin of these enhancements is analyzed in terms of the frequency-dependent response functions and the band structures.
|Number of pages||3|
|Journal||Applied Physics Letters|
|Publication status||Published - 10 Jul 2000|
ASJC Scopus subject areas
- Physics and Astronomy (miscellaneous)