R3c-type LnNiO3 (Ln = La, Ce, Nd, Pm, Gd, Tb, Dy, Ho, Er, Lu) half-metals with multiple Dirac cones: a potential class of advanced spintronic materials

Wang, X.; Ding, G.; Cheng, Z.; Yuan, H.; Wang, X.-L.; Yang, T.; Khenata, R.; Wang, W.

doi:10.1107/S2052252519012570

Figure 4
(a) Calculated total energy fluctuation of the superstructure and (b) the total magnetic moments of the superstructure for LaNiO₃ during AIMD simulations at 300 K. The superstructures show a snapshot at the end of the simulation of (c) 0 ps and (d) 2 ps.

IUCrJ

Volume 6| Part 6| November 2019| Pages 990-995

ISSN: 2052-2525

https://doi.org/10.1107/S2052252519012570

MATERIALS | COMPUTATION

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