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Figure 1
Simulations of the 3D-mΔPDF for simple systems. (a) Ferromagnetic alignment along the separating axis. A positive peak is always present at the origin as all magnetization density is aligned with itself. Positive peaks are also found at the separation vector, showing moments are aligned in same direction. (b) Ferromagnetic alignment tilted with respect to the separating axis. The 3D-mΔPDF is smeared in the direction of the moments. (c) Ferromagnetic alignment symmetry averaged for cubic symmetry. (d) Antiferromagnetically aligned moments. Negative peaks are found at the separation vector showing the opposite directions. (e) Antiferromagnetically coupled spins on a triangle. (f) A disordered ground state of the antiferromagnetic triangular Ising net (Wannier, 1950BB22). Moments pointing into the plane are shown as blue and moments going out of the plane are yellow. It is calculated by starting with a random distribution of spin up/down, then repeatedly selecting a random spin and flipping it if it has more neighbors of the same type than opposite. (g) The 3D-mΔPDF for the antiferromagnetic triangular Ising net.

IUCrJ
Volume 5| Part 4| July 2018| Pages 410-416
ISSN: 2052-2525
https://doi.org/10.1107/S2052252518006590