BaAs<sub>2</sub>: an arsenide with giant second harmonic generation enabled by interesting As–As bonds
The second harmonic generation (SHG) response of BaAs<sub>2</sub>, which features As-As bonds beneficial for the nonlinear optical (NLO) properties, was reported for the first time in this work. BaAs<sub>2</sub> crystallizes in the monoclinic <i>Pc</i> space group with a non-centrosymmetric (NCS) structure, and it is a direct band gap semiconductor material with a band gap of 0.77 eV. The SHG measurements show that the SHG intensity of BaAs<sub>2</sub> is 1.2 times that of CdGeAs<sub>2</sub>. Theoretical calculations indicate that the NLO effect of BaAs<sub>2</sub> mainly originates from the [As<sup>-</sup>] chains, and its maximum second-order NLO coefficient is 146.02 pm V<sup>-1</sup>.
Authors
- Pifu Gong (ORCID: https://orcid.org/0000-0002-4656-1554)
- J. L. Yao
- Qiang Liu (ORCID: https://orcid.org/0000-0002-1269-7779)
- Guili Wang (ORCID: https://orcid.org/0000-0002-2306-4176)
- Wentian Wu
Institutions
- Chinese Academy of Sciences (CN)
- Technical Institute of Physics and Chemistry (CN)
- University of Chinese Academy of Sciences (CN)
Publication Details
- Journal
- Dalton Transactions
- Published
- 2025-01-01
- DOI
- https://doi.org/10.1039/d5dt00889a
- Primary Topic
- Crystal Structures and Properties
- Type
- article
- Field-Weighted Citation Impact
- 0.00
Funders
- National Natural Science Foundation of China