Ab Initio Calculations of Electronic Properties of Al Doped LaMnO3 Perovskite Manganites
The electronic structure of the perovskite manganites LaMnO3 and La2/3 Al1/3 MnO3 was presented. The calculations were made within density functional theory (DFT) and PBE exchange correlations energy approximation. It was found that inclusion of Al dopants add additional states near the Fermi level and decreasing the resistivity values for all temperature range.
Mohd Mustafa Al Bakri Abdullah, Zarina Yahya, Liyana Jamaludin, Alida Abdullah and Rafiza Abd Razak
A. Chik et al., "Ab Initio Calculations of Electronic Properties of Al Doped LaMnO3 Perovskite Manganites", Applied Mechanics and Materials, Vols. 754-755, pp. 762-765, 2015