First principles second harmonic generation of transition metal dichalcogenides and boron nitride alloys: from monolayers and nanotubes to Haeckelites and Schwarzites

Michael C. Lucking, Kory Beach, Humberto Terrones

In order to shed light on the second harmonic generation (SHG) of new 2-D systems, first principles methods are used to calculate the second order susceptibility χ(2) for different…