Fig. 2: Energy differences with respect to the ground state of La2TiFeO6 and La2VCuO6 ordered phases with different magnetic configurations. | npj Computational Materials

Fig. 2: Energy differences with respect to the ground state of La2TiFeO6 and La2VCuO6 ordered phases with different magnetic configurations.

From: Study of disorder in pulsed laser deposited double perovskite oxides by first-principle structure prediction

Fig. 2

La2TiFeO6 and La2VCuO6 energy per formula unit of the different states investigated for rock-salt and layered B-site ordering, for bulk phase and for phases strained to SrTiO3 and LaAlO3(100) oriented substrates. Charge transfer and non-charge transfer states are shown for La2TiFeO6 while G-type and non-magnetic states are shown for La2VCuO6.

Back to article page