相关论文: First principles investigation of exchange interac…
We show by extensive Monte Carlo simulations that we need a multi-spin interaction in addition to pairwise interactions in order to reproduce the temperature dependence of the experimental magnetization observed in the perovskite compound…
We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…
Based on density functional calculations, we present a detailed theoretical study of the electronic structure and the magnetic properties of the quasi-one dimensional chain cuprate Li_2ZrCuO_4 (Li_2CuZrO_4). For the relevant ratio of the…
Experimental data for the magnetic susceptibility and magnetostriction of CuGeO_3 are analyzed within a one-dimensional antiferromagnetic model with nearest ({J_1}) and next-nearest neighbour interactions ({J_2}). We show that the ratio of…
We report a comprehensive investigation of the quasi-one-dimensional spin-chain compound Ca3CoIrO6 (CCIO) using a combination of structural, magnetic, thermodynamic, transport, Raman, and dielectric measurements. Temperature-dependent…
We present the \emph{ab initio} calculation of the electronic structure and magnetic properties of Bi$_2$Fe$_4$O$_9$. This compound crystallizes in the orthorhombic crystal structure with the Fe$^{3+}$ ions forming the Cairo pentagonal…
One dimensional spin 1 systems may have a rich phase diagram including Haldane gap and dimerized phases if the usually very small biquadratic exchange becomes significant. We show that this unlikely condition may be fulfilled in electron…
We investigate the spin of a multielectron GaAs quantum dot in a sequence of nine charge occupancies, by exchange coupling the multielectron dot to a neighboring two-electron double quantum dot. For all nine occupancies, we make use of a…
We have performed measurements of the magnetic susceptibility of NaV$_2$O$_5$ between 2 and 400 K. The high temperature part is typical of spin 1/2 chains with a nearest--neighbour antiferromagnetic exchange integral $J$ of 529 K. We…
In this report we review the method of explicit calculations of interatomic exchange interactions of magnetic materials. This involves exchange mechanisms normally referred to as Heisenberg exchange, Dzyaloshinskii-Moriya interaction and…
Ground state and low-energy excitations of the quasi-one-dimensional antiferromagnet CuSe$_2$O$_5$ were experimentally studied using bulk magnetization, neutron diffraction, muon spin relaxation and antiferromagnetic resonance measurements.…
Interactions between elementary excitations in quasi-one dimensional antiferromagnets are of experimental relevance and their quantitative theoretical treatment has been a theoretical challenge for many years. Using matrix product states,…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
Ca2Y2Cu5O10 is build up from edge-shared CuO4 plaquettes forming spin chains. From inelastic neutron scattering data we extract an in-chain nearest neighbor exchange J1 approximately -170 K and the frustrating next neighbor J2 approximately…
A new method of computing multipolar exchange interaction in spin-orbit coupled systems is developed using multipolar tensor expansion of the density matrix in LDA+U electronic structure calculation. Within mean-field approximation,…
Ring exchange is an elementary interaction for modeling unconventional topological matters which hold promise for efficient quantum information processing. We report the observation of four-body ring-exchange interactions and the…
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,…
Ca$_{3}$Ru$_{2}$O$_{7}$ is a fascinating material that displays physical properties governed by spin-orbit interactions and structural distortions, showing a wide range of remarkable electronic phenomena. Here, we present a…
We present evidence for the absence of a gap in a class of S=1 antiferromagnetic exchange models. The spin exchange is long-ranged of the type $-(-1)^{i-j}/|i-j|^{\alpha}$ where $1<\alpha<3$. We have shown previously that without the…
Dispersion relations of the crystal-field excitations in cubic antiferromagnets CeTe, CeSe, and CeS have been investigated by inelastic neutron scattering using single crystalline samples. The Fourier transform of the magnetic exchange…