Band-gap engineering of La1−<italic>x</italic><bold>Nd</bold><italic>x</italic><bold>AlO</bold>3 (<italic>x</italic> = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study

Band-gap engineering of La_1−xNd_xAlO₃ (x = 0, 0.25, 0.50, 0.75, 1) perovskite using density functional theory: A modified Becke Johnson potential study

Sandeep ^{1, †,}, Rai D P², Shankar A³, Ghimire M P⁴, Pradhan Sakhya Anup⁵, Sinha T P⁵, Khenata R⁶, Bin Omran S⁷, Thapa R K¹

(a) Total DOS plots of the La_1−xNd_xAlO₃ alloys (0% < x < 100%); the partial DOS plots of the La-d, La-f, Al-p, O-s, and O-p states of the La_1−xNd_xAlO₃ alloys at x = 0% (b), 25% (c), 50% (d), 75% (e), and 100% (f).