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We investigate the binding of holes and the emergence of competing spin-charge order in the simple and extended Hubbard model using exact diagonalization on the 3x4 cylindrical lattice. For the simple Hubbard model (V=0), we find weakly…
The $J_1-J_3$ Heisenberg spin models with nearest-neighbor ($J_1$) and additional isotropic three-site ($J_3$) spin interactions remain relatively less explored, although such types of competing exchange terms can naturally emerge from…
The nature of the Cooper pairing in the paradigmatic unconventional superconductor Sr$_2$RuO$_4$ is an outstanding puzzle in condensed matter physics. Despite the tremendous efforts made in the past twenty-seven years, neither the pairing…
We present a joint experimental and computational study of the recently synthesized spin 1/2 system silver-copper-orthovanadate AgCuVO4 [A. M\"oller and J. Jainski, Z. Anorg. Allg. Chem. 634, 1669 (2008)] exhibiting chains of trans…
A new spin-1/2 quasi-one-dimensional antiferromagnet KCuMoO_4(OH) is prepared by the hydrothermal method. The crystal structures of KCuMoO_4(OH) and the already-known Na-analogue, NaCuMoO_4(OH), are isotypic, comprising chains of Cu^{2+}…
Macroscopic assemblies of interacting spins give rise to a broad spectrum of behaviors determined by the spatial arrangement of the magnetic sites and the electronic interactions between them. Compounds of copper (II), in which each copper…
We discuss the $t$-$J$-$U$ model in the mean-field approximation. The role of spin-exchange coupling $J$ and the second nearest hopping $t'$ are examined in the context of the coexistence of superconductivity (SC) and antiferromagnetism…
Building on the generalization of the exactly dimerized Majumdar-Ghosh ground state to arbitrary spin S for the Heisenberg chain with a three-site term (S_{i-1} S_i)(S_i S_{i+1}) + H.c., we use density-matrix renormalization group…
The competition between antiferromagnetism and the $d+id$ superconducting state is studied in a model with near and next near neighbour interactions in the absence of any on-site repulsion. A mean field study shows that it is possible to…
In a comment on arXiv:1006.5070v2, Drechsler et al. claim that the frustrated ferromagnetic spin-1/2 chain LiCuVO4 should be described by a strong rather than weak ferromagnetic nearest-neighbor interaction, in contradiction with their…
La$_4$Cu$_3$MoO$_{12}$ is a cluster antiferromagnet where copper spin-1/2 form a network of st rongly coupled spin-trimers. The magnetic properties of this material have bee n examined using magnetic neutron scattering. At low temperatures,…
The 2D extended $\rm t-J$ model is studied computationally in a broad region of parameter space, motivated by recent photoemission experiments for the undoped cuprate $\rm Ca_2 Cu O_2 Cl_2$ (F. Ronning et al., Science {\bf 282}, 2067…
Transition metal oxides exhibit various competing phases and exotic phenomena depending on how their reaction to the rich degeneracy of the $d$-orbital. Large spin-orbit coupling (SOC) reduces this degeneracy in a unique way by providing a…
Understanding the physics of the two-dimensional Hubbard model is widely believed to be a key step in achieving a full understanding of high-$T_\mathrm{c}$ cuprate superconductors. In recent years, progress has been made by large-scale…
We study physical properties of a potential candidate for the physical realization of the SU(4) spin-orbital model - layered alpha-ZrCl3. Both DFT and DFT+U+SOC calculations show that this material most probably dimerizes at normal…
Molecule oxygen resembles 3d and 4f metals in exhibiting long-range spin ordering and electron strong correlated behaviors in compounds. The ferromagnetic spin ordering and half-metallicity, however, are quite elusive and have not been well…
We calculate the magnetic interactions between two nearest neighbor substitutional magnetic ions (Co or Mn) in ZnO by means of density functional theory and compare it with the available experimental data. Using the local spin density…
A combined theoretical and experimental study of the natural Cu(2+)-mineral callaghanite is presented. Its crystal structure features well separated Cu$_2$(OH)$_6$ structural dimers with weakly bonded carbonate groups and water molecules in…
We investigate the properties of CuVOF$_4$(H$_2$O)$_6$$\cdot$H$_2$O, in which two different spin species, Cu(II) and V(IV), form antiferromagnetic spin-1/2 dimers with weak interdimer coupling provided via hydrogen bonding. Using…
We formulate and study a spin-orbital model for a family of cubic double perovskites with $d^1$ ions occupying a frustrated fcc sublattice. A variational approach and a complimentary analytical analysis reveal a rich variety of phases…