相关论文: First principles investigation of exchange interac…
ErMgGaO$_4$ is a quantum antiferromagnet wherein the pseudospin-1/2 degrees of freedom of Er$^{3+}$ decorate two-dimensional triangular planes separated by disordered non-magnetic bilayers of Mg$^{2+}$ and Ga$^{3+}$. Unlike its sister…
Magnetic and electronic structures in LaFeAsO in the single-stripe-type antiferromagnetic (AFM) phase are studied using first-principles density-functional calculations including the spin-orbit interaction. We show that the longitudinal…
We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…
In a frustrated J_1-J_2 chain with the nearest-neighbor ferromagnetic interaction J_1 and the next-nearest-neighbor antiferromagnetic interaction J_2, novel magnetic states such as a spin-nematic state are theoretically expected. However,…
Starting from the Mott insulator picture for cubic vanadates, we derive and investigate the model of superexchange interactions between V$^{3+}$ ions, with nearly degenerate $t_{2g}$ orbitals occupied by two electrons each. The…
The angular and temperature dependences of single crystal ESR spectra at X-band frequency of quasi 1D spin 1/2 antiferromagnetic zigzag chain system {\beta}-TeVO4 are reported. Two resonance components in the ESR spectrum have been…
Using realistic low-energy model with parameters derived from the first-principles electronic structure calculation, we address the origin of the quasi-one-dimensional behavior in orthorhombic NaV$_2$O$_4$, consisting of the double chains…
A novel general method of describing the spin-lattice interactions in magnetic solids was proposed in terms of first principles calculations. The spin exchange and Dzyaloshinskii-Moriya interactions as well as their derivatives with respect…
The results of ac and dc magnetization and heat capacity measurements on the oxides, Ca$_3$Co$_{1+x}$Mn$_{1-x}$O$_6$, forming in a K$_4$CdCl$_6$-derived rhombohedral quasi-one-dimensional crystal structure, are reported. As far as…
We computed spin wave dispersions of surface-reconstructed Co films on the W(110) surface in the adiabatic approximation. The magnetic exchange interactions are obtained via first-principles electronic structure calculations using the…
We report a study of the anisotropic exchange interactions in bulk CrO_2 calculated from first principles within density functional theory. We determine the exchange coupling energies, using both the experimental lattice parameters and…
The role played by the effective residual interaction in the transverse nuclear response for quasi-free electron scattering is discussed. The analysis is done by comparing different calculations performed in the Random--Phase Approximation…
The spin-1/2 Cu2+ ions of LiCuVO4 form one-dimensional chains along the b-direction, and the spin frustration in LiCuVO4 is described in terms of the nearest-neighbor ferromagnetic exchange J1 and the next-nearest-neighbor antiferromagnetic…
We consider a spin-$\frac{1}{2}$ kagome-like chain with competing ferro- and antiferromagnetic anisotropic exchange interactions. The ground state phase diagram of this model consists of the ferromagnetic and ferrimagnetic phases. We study…
A nuclear-spin exchange interaction exists between two ultracold fermionic alkali-earth (like) atoms in the electronic $^{1}{\rm S}_{0}$ state ($g$-state) and $^{3}{\rm P}_{0}$ state ($e$-state), and is an essential ingredient for the…
We introduce a theoretical framework for computaions of anisotropic multipolar exchange interactions found in many spin--orbit coupled magnetic systems and propose a method to extract these coupling constants using a density functional…
We study the exchange constants of MnV$_2$O$_4$ using magnetic force theorem and local spin density approximation of density functional theory supplemented with a correction due to on-site Hubbard interaction U. We obtain the exchanges for…
We compare three distinct computational approaches based on first-principles calculations within density functional theory to explore the magnetic exchange and the Dzyaloshinskii-Moriya interactions (DMI) of a Co monolayer on Pt(111),…
We study the effect of four-particle ring exchange process on orbital antiferromagnetic state that occurs in some correlated electron systems in two dimensions. The primary question is whether the ring exchange process enhances or…
Although the effects of interactions in solid state systems still remains a widely open subject, some limiting cases such as the three dimensional Fermi liquid or the one-dimensional Luttinger liquid are by now well understood when one is…