Related papers: Magnetic ground state of coupled edge-sharing CuO_…
The entanglement-sharing properties of an infinite spin-chain are studied when the state of the chain is a pure, translation-invariant state with a matrix-product structure. We study the entanglement properties of such states by means of…
We calculate the nature of magnetic interactions in transition-metal doped ZnO using the local spin density approximation and LSDA+\textit{U} method of density functional theory. We investigate the following four cases: (i) single…
In this work we study the interplay between the crystal structure and magnetism of the pyroarsenate \alpha-Cu_2As_2O_7 by means of magnetization, heat capacity, electron spin resonance and nuclear magnetic resonance measurements as well as…
We study the ground-state properties of the double-chain Hubbard model coupled with ferromagnetic exchange interaction by using the weak-coupling theory, density-matrix renormalization group technique, and Lanczos exact-diagonalization…
We present detailed calculations of the magnetic ground state properties of Cs$_2$CuCl$_4$ in an applied magnetic field, and compare our results with recent experiments. The material is described by a spin Hamiltonian, determined with…
The electronic structure and magnetic properties of the strongly correlated material La$_2$O$_3$Fe$_2$Se$_2$ are studied by using both the density function theory plus $U$ (DFT+$U$) method and the DFT plus Gutzwiller (DFT+G) variational…
Determining the ground state properties of the two-dimensional Hubbard model has remained an outstanding problem. Applying recent advances in constrained path auxiliary-field quantum Monte Carlo techniques and simulating large rectangular…
A recent density functional theory (DFT) based analysis, complemented with Quantum Monte Carlo calculations revealed a highly spin-frustrating nature of the one-dimensional spin-$\frac{1}{2}$ compound $Cs_2CuAl_4O_8$ that comprises of…
The experimental realization of various spin ladder systems has prompted their detailed theoretical investigations. Here we study the evolution of ground state magnetization with an external magnetic field for two different…
Magnetic susceptibility, magnetization, specific heat and positive muon spin relaxation (\musr) measurements have been used to characterize the magnetic ground-state of the spinel compound $\rm CuGa_2O_4$. We observe a spin-glass transition…
First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…
We study numerically the ground state properties of the one-dimensional quarter-filled strongly correlated electronic system interacting antiferromagnetically with localized $S=1/2$ spins. It is shown that the charge-ordered state is…
The high-field ground state of the competing-spin-chain compound Cs2Cu2Mo3O12 with the ferromagnetic first-nearest-neighbor J1=-93 K and the antiferromagnetic second-nearest-neighbor J2 = +33 K was investigated by 133Cs-NMR. A divergence of…
In frustrated spin-1/2 chains the competition between the nearest- and next-nearest-neighbor exchange interactions leads to a rich phase diagram that becomes even richer in the presence of perturbations in their material realizations. These…
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…
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…
The spin structure in a magnetic dot, which is an example of a quantum few-body system, is studied as a function of exchange coupling strength and dot size with in the semiclassical approximation on a discrete lattice. As the exchange…
The unusual magnetic properties of a novel low-dimensional quantum ferrimagnet Cu$_2$Fe$_2$Ge$_4$O$_{13}$ are studied using bulk methods, neutron diffraction and inelastic neutron scattering. It is shown that this material can be described…
The collective behavior of correlated electrons in the VO$_2-$interface layer of LaVO$_3$/SrTiO$_3$ heterostructure is studied within a quarter-filled $t_{2g}$-orbital Hubbard model on a square lattice. We argue that the ground state is…
We theoretically investigate the ground state magnetic properties of the brownmillerite phase of SrCoO2.5. Strong correlations within Co d electrons are treated within the local spin density approximations of Density Functional theory (DFT)…