Second-harmonic generation properties of AIIBIVCV2 chalcopyrite semiconductors

• The plasma oscillations theory of solids has been used to calculate the χ123(2)(0) of AIIBIVCV2 chalcopyrite semiconductors.
• χ123(2)(0) of 13-new chalcopyrites of II–IV–V2 family have been reported for the first time.
• The calculated values are in good agreement with the available experimental and reported values.
• Out of two proposed relations, one requires only (ℏωp)(ℏωp) for calculating χ123(2)(0).

The second-harmonic generation (SHG) properties of AIIBIVCV2 chalcopyrite semiconductors have been theoretically studied. Two relations, based on plasma oscillations theory of solids, have been proposed for the calculation of the zero-frequency SHG coefficients χ123(2) of the AC and BC bonds in AIIBIVCV2 semiconductors and their total contribution to entire family of these compounds. The calculated values of static χ123(2) from both the relations are in reasonable agreement with the available experimental and reported values.