Unraveling the electronic, vibrational, thermodynamic, optical and piezoelectric properties of LiNbO${}_3$, LiTaO${}_3$ and Li${}_2$NbTaO${}_6$ from first-principles calculations

Debidutta Pradhan, Rojalin Swain, Souvagya Kumar Biswal +1

We have investigated the electronic, vibrational, optical, thermal and piezoelectric properties of LiNbO${}_3$, LiTaO${}_3$ and Li${}_2$NbTaO${}_6$ using the first-principles calculation b…