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We performed neutron single crystal and synchrotron X-ray powder diffraction experiments in order to investigate the magnetic and crystal structures of the conductive layered triangular-lattice antiferromagnet PdCrO2 with a putative spin…
We report density functional calculations addressing the electronic structure and magnetic properties of delafossite PdCrO2. We find substantial magnetic interactions in the c-axis direction as well as beyond first nearest neighbors…
We report quantum oscillation data on the metallic triangular antiferromagnet PdCrO$_2$. We find that, to very high accuracy, the observed frequencies of PdCrO$_2$ can be reproduced by reconstruction of the (nonmagnetic) PdCoO$_2$ Fermi…
Due to the large perpendicular magnetic anisotropy originating from spin-orbit coupling, magnetoelastic coupling is generally reported in easy-plane magnets with rectangular lattice where the easy magnetization is coupled with the lattice…
Delafossite PdCrO$_2$ is an intriguing material which displays nearly-free electron and Mott insulating behaviour in different layers. Both angle-resolved photoemission spectroscopy (ARPES) and Compton scattering measurements have…
Here, using density functional theory and density matrix renormalization group methods, we investigate the electronic and magnetic properties of RuOCl$_2$ and OsOCl$_2$ with $d^4$ electronic configurations. Different from a previous study…
The electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new…
By many-body quantum-chemical calculations, we investigate the role of two structural effects - local ligand distortions and the anisotropic Cd-ion coordination - on the magnetic state of Cd2Os2O7, a spin S=3/2 pyrochlore. We find that…
We use the state-of-the-arts density-functional-theory method to study various magnetic orders and their effects on the electronic structures of the FeSe. Our calculated results show that, for the spins of the single Fe layer, the striped…
When Heisenberg spins interact antiferromagnetically on a triangular lattice and nearest-neighbor interactions dominate, the ground state is 120$^{\circ}$ antiferromagnetism. In this work, we probe the response of this state to lifting the…
We report the nature of magnetic structure, microscopic spin-spin correlations and their dependence on the underlying crystal structure of the geometrically frustrated layered spin-3/2 maple-leaf-lattice (MLL) antiferromagnet Na2Mn3O7 by a…
We report the de Haas-van Alphen (dHvA) oscillations and first-principle calculations for triangular antiferromagnet PdCrO2 showing unconventional anomalous Hall effect (AHE). The dHvA oscillations in PdCrO2 reveal presence of several 2…
By using a fully relativistic embedded cluster Green's function technique we investigated the magnetic anisotropy properties of four different compact Cr trimers (equilateral triangles) and Cr mono-layers deposited on Au(111) surface in…
The pivotal role of magnetic anisotropy in stabilising two-dimensional (2D) magnetism has been widely accepted, however, direct correlation between magnetic anisotropy and long-range magnetic ordering in the 2D limit is yet to be explored.…
Correlation between dielectric and magnetic properties was investigated on the triangular lattice antiferromagnets ACrO2 (A= Cu, Ag, Li, or Na) showing 120-degree spiral spin structure with easy-axis anisotropy. For the A= Cu and Ag…
We have carried out density-functional theory (DFT) calculations to study the magnetic stability of both ferromagnetic (FM) and anti-ferromagnetic (AFM) states in monolayer 1T-CrTe2. Our results show that the AFM order is lower in energy…
Here we report a combined study of low-temperature scanning tunneling microscopy (STM) and dynamical mean-field theory (DMFT) on PdCrO$_2$, a delafossite metal with an antiferromagnetic order below ~37.5 K. First, on the CrO$_2$-terminated…
The spin dynamics of the geometrically frustrated triangular antiferromagnet multiferroic CuCrO2 have been mapped out using inelastic neutron scattering. The relevant spin Hamiltonian parameters modelling the incommensurate modulated…
We discuss theoretically rather rear example of spin-flop transition which is accompanied with changing the type of magnetic ordering and which seemingly has not been addressed yet. We demonstrate that changing the type of magnetic ordering…
The competition between interactions in frustrated magnets allows a wide variety of new ground states, often exhibiting emergent physics and unique excitations. Expanding the suite of lattices available for study enhances our chances of…