Fig. 1: Antiferromagnetic symmetry controlled anomalous Hall effect (AHE) and DFT calculations for Cr-doped RuO2.
From: Emergent zero-field anomalous Hall effect in a reconstructed rutile antiferromagnetic metal
a Crystal structure of the Cr-doped rutile phase RuO2. O-ions are located between two Ru (Cr) sites asymmetrically. The Ru-1 (Cr-1) and Ru-2 (Cr-2) denote the Ru (Cr) ions at the center and the corner sites of the unit cell, respectively. The orange arrows denote the local magnetic moment with antiferromagnetic coupling along [110]. Hall vector (σHall) is allowed and parallel to the Néel vector (L) along [110] in such a configuration, which vanishes as the Néel vector is along [001], indicating a manipulating of L is necessary to generate AHE. b Schematic illustration of charge transfer in Cr-doped RuO2. The orbital level difference between the nearest neighbor sites can lead to partial charge transfer from Ru4+ to Cr4+ to form a reconstructed Fermi level and maintain an antiparallel spin coupling. c Calculated projected density of states (PDOS) of the RuO2 and Ru0.5Cr0.5O2 in the paramagnetic phase. The Ru-2 sites for both components possess identical PDOS with Ru-1. d Calculated PDOS of the Ru0.5Cr0.5O2 in the magnetic ground state. The doped Cr ions have two selective sites as labeled by Cr-1 and Cr-2 in (a). Ru and Cr both show an asymmetric PDOS (a spontaneous polarization), while exhibiting an antiparallel coupling.
