Nonlinear optical response of ferroelectric oxides: first-principles calculations within the time-domain and the frequency-domain

Christof Dues, Marius J. Müller, Sangam Chatterjee +2

The second and third order nonlinear susceptibilities of the ferroelectric oxides LiNbO${}_3$, LiTaO${}_3$, and KNbO${}_3$ are calculated from first principles. Two distinct methodologie…