Unveiling Mysteries of GdRu$_2$Si$_2$: The Impact of Interlayer Coupling on The Magnetic Response

Abstract

GdRu$_2$Si$_2$ has recently drawn significant attention as a centrosymmetric magnet capable of hosting a short period skyrmion square lattice (SkL) in the absence of Dzyaloshinskii Moriya interaction (DMI). In this system, Gd atoms are arranged on a square lattice forming 2D layers separated by the Ru-Si network in the out-of-plane direction. In the low T regime, the ground state for zero/smaller external magnetic field ($\vec{B}_\perp$) along the out-of-plane direction is a single helical state, characterized by one modulation vector $\vec{Q}$ along one of the in-plane directions of the square lattice. For some critical range of higher $\vec{B}_\perp$, the helical state transforms into a SkL state that can be viewed as the overlap of two helical states defined with $\vec{Q}$ vectors in two in-plane directions, with the same magnitude of $\vec{Q}$ as for the single helical state. So far in the literature, importance has been given to this in-plane $\vec{Q}$ vector in understanding the magnetic phases of the system, considering the out-of-plane magnetic coupling to be weak, which therefore has been ignored. Our calculation of the Gd-Gd magnetic exchange interactions ($J_{ij}$) however shows the strongest $J_{ij}$ to occur between second neighbour Gd atoms along the [111] body-diagonal direction of the unit cell. This along with the body-centred tetragonal structure of the Gd sublattice points to the presence of a hitherto ignored modulation vector, $\vec{Q}_{[111]}$, along the [111] direction in the helical ground state. Atomistic Spin Dynamics (ASD) simulations show the importance of this interaction. This interlayer modulation vector $\vec{Q}_{[111]}$, along with the intralayer $\vec{Q}_{[100]}$, determines the total magnetic ordering of the system. Our data shows that the magnetic phases in GdRu$_2$Si$_2$ are far more complex than what has been previously discussed.