A New Nonlinear Optical Selenide Crystal AgLiGa2Se4 with Good Comprehensive Performance in Mid-Infrared Region

Alexander Yelisseyev, Sergei Lobanov, Maxim Molokeev, Shengzi Zhang, Alexei Pugachev, Zheshuai Lin, Vitaly Vedenyapin, Alexei Kurus, Avag Khamoyam, Ludmila Isaenko

Research output: Contribution to journalArticlepeer-review


Mid-infrared (mid-IR) nonlinear optical (NLO) crystals are indispensable for the mid-IR lasers generation with tunable wavelengths from 3 to 20 µm. AgGaSe2 is a commercial mid-IR NLO crystal with the highest figures of merit, but suffers low laser damage threshold (LDT). To achieve the balance of optical transmission, NLO effect, and LDT, it is proposed to molecularly modify the AgGaSe2 structure by introducing the [LiSe4] tetrahedra, and successfully grow large crystals of a new selenide AgLiGa2Se4. The replacement of half of the heavy Ag+ cations with light Li+ increases the band gap to 2.2 eV (vs. 1.7 eV in AgGaSe2). The LDT value in AgLiGa2Se4 increases five times compared to that in AgGaSe2, while keeping a relatively large NLO susceptibility of 26 pm V−1. Moreover, the thermal expansion coefficients in AgLiGa2Se4 are approximately two times lower in absolute value compared with AgGaSe2, which is beneficial to the large crystal growth. All these advantages would make AgLiGa2Se4 a new promising NLO crystal for mid-IR laser applications.

Original languageEnglish
Article number2001856
Number of pages8
JournalAdvanced Optical Materials
Issue number5
Early online date16 Dec 2020
Publication statusPublished - 4 Mar 2021


  • crystal growth
  • first principles calculations
  • inorganic functional materials
  • laser damage threshold
  • second harmonic generation
  • TE
  • SE
  • MID-IR
  • GAP

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