Determine the relative location of orbital-ordering and metal-insulator boundaries

Determine whether the orbital-ordering boundary and the metal-insulator-transition boundary in the expanded SrVO3 phase diagram are separated, coincide, or overlap.

Background

The proposed phase diagram contains both a crystal-field-driven metal-insulator transition and orbital-ordering domes associated with the effectively quarter-filled dxz/dyzd_{xz}/d_{yz} doublet. The calculations establish ordering tendencies in both metallic and insulating regimes, but the available trajectories do not resolve how the two phase boundaries relate to one another. This leaves the topology of the phase diagram near their intersection undetermined.

References

Please note that it is {\it a priori} not clear whether the orbital-ordering and the metal-insulator-transition boundaries are separated, coincide or overlap.

— Tuning crystal-fields by He-irradiation and orbital Widom line in SrVO$_3$ films  (2608.14362 - Pickem et al., 14 Aug 2026) in Section 5, subsection “Phase diagram and validation to experiment”