Investigation of the electronic, linear, and second-order nonlinear optical properties for the wide bandgap chalcopyrite ternary nitrides

L. C. Tang, Y. C. Chang, Jung Y. Huang, C. S. Chang

Research output: Chapter in Book/Report/Conference proceedingConference contribution

5 Scopus citations

Abstract

We present the results of the ab initio calculated electronic properties, first and second harmonic generation for the AII BIV N2 (AII=Be, Mg; BIV =C, Si, Ge) compounds with chalcopyrite structure performed using the Linear Augmented Slater-Type Orbitals (LASTO) method. The second-order optical susceptibilities as functions of frequency for AII BIV N2 are also presented. Specifically, we study the relation between the structural properties and the optical responses. Our electronic band structure and density of states (PDOS) analysis reveal that the underestimate bandgaps of these chalcopyrite A IIBIV N2 are wide enough (from 4eV to 6eV), direct transition and mainly located at Γ-point. Calcultion results show this new category wide-bandgap ternary nitrides has potential applications in optoelectronics.

Original languageEnglish
Title of host publicationPhotonic Fiber and Crystal Devices
Subtitle of host publicationAdvances in Materials and Innovations in Device Applications II
DOIs
StatePublished - 12 Nov 2008
EventPhotonic Fiber and Crystal Devices: Advances in Materials and Innovations in Device Applications II - San Diego, CA, United States
Duration: 12 Aug 200814 Aug 2008

Publication series

NameProceedings of SPIE - The International Society for Optical Engineering
Volume7056
ISSN (Print)0277-786X

Conference

ConferencePhotonic Fiber and Crystal Devices: Advances in Materials and Innovations in Device Applications II
CountryUnited States
CitySan Diego, CA
Period12/08/0814/08/08

Keywords

  • Chi2
  • First-principles
  • Frequency-dependent
  • Second-order optical susceptibilities

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    Tang, L. C., Chang, Y. C., Huang, J. Y., & Chang, C. S. (2008). Investigation of the electronic, linear, and second-order nonlinear optical properties for the wide bandgap chalcopyrite ternary nitrides. In Photonic Fiber and Crystal Devices: Advances in Materials and Innovations in Device Applications II [705605] (Proceedings of SPIE - The International Society for Optical Engineering; Vol. 7056). https://doi.org/10.1117/12.791577