相关论文: The Origin of Magnetic Interactions in Ca3Co2O6

For cobalt atoms placed along chain structures in Ca3Co2O6, we investigate the spin exchange coupling between atoms in high spin states. Consistent with experimental findings, the coupling is weakly ferromagnetic.

The peculiar field-dependent magnetism of Na0.82CoO2 has been investigated through an analysis of its DC and AC spin susceptibilities. To account for the easily activated narrow b2g-a1g gap of the crystal field for Co in the cobalt oxide…

We present electronic structure calculations for the one-dimensional magnetic chain compounds Ca_3CoRhO_6 and Ca_3FeRhO_6. The calculations are based on density functional theory and the local density approximation. We use the augmented…

In this paper, we report on the magnetic properties of Ba2CoS3, a spin-chain compound recently found to be the first Co2+ containing one-dimensional sulphide to show metallic-like conductivity and negative magnetoresistance. We carried out…

The origin of both the Ising chain magnetism and ferroelectricity in Ca$_3$CoMnO$_6$ is studied by $ab$ $initio$ electronic structure calculations and x-ray absorption spectroscopy. We find that Ca$_3$CoMnO$_6$ has the alternate trigonal…

We show that the origin of the antiferromagnetic coupling in spin-1 triangulene chains, which were recently synthesized and measured by Mishra et al. Nature 598, 287-292 (2021) originates from a superexchange mechanism. This process,…

Antiferromagnetism is relevant to high temperature (high-Tc) superconductivity because copper oxide and iron arsenide high-Tc superconductors arise from electron- or hole-doping of their antiferromagnetic (AF) ordered parent compounds.…

In this work, we investigate the microscopic origin of magnetism in $\mathrm{SrCoO_3}$ by incorporating electronic correlations within the dynamical mean-field theory (DMFT) framework. We note a remarkable agreement of the calculated…

We report the crystal structure, magnetization measurements, and band-structure calculations for the spin-1/2 quantum magnet CaCu2(SeO3)2Cl2. The magnetic behavior of this compound is well reproduced by a uniform spin-1/2 chain model with…

The detection of considerable spin frustration in honeycomb cobalt oxide compounds indicates the presence of sizable Kitaev interactions in these systems, enlarging the pool of Kitaev spin liquid candidates. Several key questions remain to…

Co$^{2+}$ ions in an octahedral crystal field, stabilise a j$_{eff}$ = 1/2 ground state with an orbital degree of freedom and have been recently put forward for realising Kitaev interactions, a prediction we have tested by investigating…

The results of electronic structure calculations for the one-dimensional magnetic chain compound Ca3Co2O6 are presented. The calculations are based on density functional theory and the local density approximation and used the augmented…

Understanding the magnetism and its possible correlations to the topological properties has emerged as a forefront and difficult topic in studying magnetic Weyl semimetals. Co$_{3}$Sn$_{2}$S$_{2}$ is a newly discovered magnetic Weyl…

Motivated by the on-going discussion on the nature of magnetism in the quantum Ising chain CoNb$_2$O$_6$, we present a first-principles-based analysis of its exchange interactions by applying an \textit{ab initio} approach with additional…

We report on a 59Co NMR investigation of the trigonal cobaltate Ca3Co2O6 carried out on a single crystal, providing precise determinations of the electric field gradient and chemical shift tensors, and of the internal magnetic fields at the…

Using thermodynamic measurements and density-functional band-structure calculations, we explore magnetic behavior of SrCuTe2O6. Despite being a structural sibling of a three-dimensional frustrated system PbCuTe2O6, this spin-1/2 quantum…

We report on the microscopic model of the recently synthesized one-dimensional quantum magnet (NO)Cu(NO3)3. Applying density functional theory band structure calculations, we obtain a leading antiferromagnetic exchange coupling J ~ 200 K,…

Finding new materials with antiferromagnetic (AFM) Kitaev interaction is an urgent issue to broaden and enrich the quantum magnetism research significantly. By carrying out inelastic neutron scattering experiments and subsequent analysis,…

Ac and dc magnetization and heat-capacity (C) measurements performed on the pseudo-one-dimensional compound Sr$_3$CuIrO$_6$ reveal a competition between antiferromagnetic (AF) and ferromagnetic (F) exchange couplings, as evidenced by…

Based on density functional theory band structure calculations, quantum Monte-Carlo simulations, and high-field magnetization measurements, we address the microscopic magnetic model of BaAg2Cu[VO4]2 that was recently proposed as a spin-1/2…