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We investigate topological features of electronic structures which produce large anomalous Hall effect in the non-collinear antiferromagnetic metallic states of anti-perovskite manganese nitrides by first-principles calculations. We first…
Antiferromagnetic antiperovskites, where magnetically active 3$d$ metal cations are placed in the octahedral corners of a perovskite structure, are in the spotlight due to their intertwined magnetic structure and topological properties.…
We report the anomalous Hall effect (AHE) in antiperovskite Mn$_{3}$NiN with substantial doping of Cu on the Ni site (i.e. Mn$_{3}$Ni$_{1-x}$Cu$_{x}$N), which stabilizes a noncollinear antiferromagnetic (AFM) order compatible with the AHE.…
We model changes of magnetic ordering in Mn-antiperovskite nitrides driven by biaxial lattice strain at zero and at finite temperature. We employ a non-collinear spin-polarised density functional theory to compare the response of the…
Our high-throughput computational screening of the Materials Project database has identified 140 candidate materials exhibiting antiferromagnetic behavior in the $Pnma$ space group. Through systematic density functional theory calculations…
The anomalous Hall effect (AHE) is a well-known fundamental property of ferromagnetic metals, commonly associated with the presence of a net magnetization. Recently, an AHE has been discovered in non-collinear antiferromagnetic (AFM)…
Investigating the off-diagonal components of the conductivity and thermoelectric tensor of materials hosting complex antiferromagnetic structures has become a viable method to reveal the effects of topology and chirality on the electronic…
The observation of a sizable anomalous Hall effect in magnetic materials with vanishing magnetization has renewed interest in understanding and engineering this phenomenon. Antiferromagnetic antiperovskites are one of emerging material…
Based on density functional theory calculations, we elucidated the origin of multifunctional properties for cubic antiperovskites with noncollinear magnetic ground states, which can be attributed to strong isotropic and anisotropic…
Metallic antiferromagnets with noncollinear orientation of magnetic moments provide a playground for investigating spin-dependent transport properties by analysis of the anomalous Hall effect. The intermetallic compound Mn5Si3 is an…
Density functional theory is used to study the effect of compressive and tensile biaxial strain on Mn$_{3}$GaN. Mn$_{3}$GaN is a non-collinear antiferromagnetic antiperovskite with a similar structure to that of an ideal cubic oxide…
Based on first-principles calculations, we investigated the topological transport properties of Mn$_3$GaN with coplanar noncollinear magnetic structures. The intrinsic anomalous Hall conductivity (IAHC) displays a significant dependence…
Mn-based antiperovskites that exhibit topological surface states show potential applications in spintronics, magnetoelectronics, and quantum devices owing to the interplay between magnetism and topology. In this family of compounds,…
The anomalous Nernst effect (ANE) - the generation of a transverse electric voltage by a longitudinal heat current in conducting ferromagnets or antiferromagnets - is an appealing approach for thermoelectric power generation in spin…
Antiferromagnetic manganese-based nitride antiperovskites, such as Mn$_3$NiN, hold a triangular frustrated magnetic ordering over their kagome lattice formed by the Mn atoms along the (111)-plane. As such, frustration imposes a non-trivial…
While the anomalous Hall effect takes place typically in ferromagnets with finite magnetization, large anomalous Hall conductivity in noncollinear antiferromagnetic systems has been recently observed and attracted much attention. In this…
Electric-field control of magnetization promises to substantially enhance the energy efficiency of device applications ranging from data storage to solid-state cooling. However, the intrinsic linear magnetoelectric effect is typically small…
The anomalous Hall effect is investigated theoretically by means of density functional calculations for the non-collinear antiferromagnetic order of the hexagonal compounds Mn$_3$Ge and Mn$_3$Sn using various planar triangular magnetic…
Using ab initio density functional total energy and molecular dynamics simulations, we study the effects of various forms of nitrogen post deposition anneal (PDA) on the electric properties of hafnia in the context of its application as a…
The external field control of antiferromagnetism is a significant subject both for basic science and technological applications. As a useful macroscopic response to detect magnetic states, the anomalous Hall effect (AHE) is known for…