Band structures and two-photon absorption of ZnGeP2 and AgGaS2 crystals

Wen Dan Cheng, Zhi Xie, Dong Sheng Wu, Shu Ping Huang, Jin Yun Wang, Zhang Hao

Research output: Contribution to journalArticlepeer-review

1 Scopus citations


Abstract Band structure and bonding properties have been investigated in terms of periodic density functional theory (DFT) method, and two-photon absorption (TPA) spectra have been simulated by two-band model for ZnGeP 2 and AgGaS2 crystals. It has been predicted that the AgGaS2 crystal has a wider window of nonlinear transmission, and the laser pumping energy larger than 1.02 and 1.35 eV will lead to deleterious TPA of higher nonlinear effect for ZnGeP2 and AgGaS2 crystals, respectively. Electron origin of TPA for them is also discussed.

Original languageEnglish (US)
Pages (from-to)950-956
Number of pages7
JournalJiegou Huaxue
Issue number6
StatePublished - Jun 28 2010


  • Band structure
  • DFT
  • Electron transition
  • TPA


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