Strong enhancement of second-order response coefficients in tellurium containing Ag-III-VI2 compounds

Sergey Rashkeev, Walter R L Lambrecht

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19 Citations (Scopus)


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.

Original languageEnglish
Pages (from-to)190-192
Number of pages3
JournalApplied Physics Letters
Issue number2
Publication statusPublished - 10 Jul 2000
Externally publishedYes


ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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