Related papers: $Sr\_{14}Cu\_{24}O\_{41}$ : a complete model for t…
We introduce a one-dimensional model for a CuO chain, with holes and $S=1/2$ spins localized in $3d_{x^2-y^2}$ orbitals, and $p_\sigma$ oxygen orbitals without holes in the ground state. We consider a single hole doped at an oxygen site and…
A microscopic magnetic model for alpha-Cu2P2O7 is evaluated in a combined theoretical and experimental study. Despite a dominant intradimer coupling J1, sizable interdimer couplings enforce long-range magnetic ordering at T_N=27 K. The spin…
The parent compound of cuprates is a charge-transfer-type Mott insulator with strong hybridization between the Cu $3d_{\mathrm x^2-y^2}$ and O $2p$ orbitals. A key question concerning the pairing mechanism is the behavior of doped holes in…
We develop a microscopic theory of multipole interactions and orderings in 5$d^2$ transition metal ion compounds. In a cubic environment, the ground state of 5$d^2$ ions is a non-Kramers $E_g$ doublet, which is nonmagnetic but hosts…
The effect of antiferromagnetic spin fluctuations on two-dimensional quarter-filled systems is studied theoretically. An effective $t-J'-V$ model on a square lattice which accounts for checkerboard charge fluctuations and…
A frustrated spin-$1/2$ XXZ chain model comprising a ferromagnetic nearest-neighbor coupling with the bond alternation, $J_1(1\pm\delta)<0$, and an antiferromagnetic second-neighbor exchange coupling $J_2>0$ is studied at zero and weak…
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,…
The present paper studies the influence of the structural modulation on the low energy physics of the $Sr_{14-x}Ca_xCu_{24}O_{41}$ oxides, using ab-initio determination of the on-site and nearest neighbor effective parameters. The…
We present a thorough $^{77}$Se NMR study of a single crystal of the magnetoelectric compound Cu$_2$OSeO$_3$. The temperature dependence of the local electronic moments extracted from the NMR data is fully consistent with a magnetic phase…
To address the SMC'18 data challenge, "Discovering Features in Sr$_{14}$Cu$_{24}$O$_{41}$", we have used the clustering algorithm "DBSCAN" to separate the diffuse scattering features from the Bragg peaks, which takes into account both…
Within a first principles framework, we study the electronic structure of the recently synthesized polymeric coordination compound Cu(II)-2,5-bis(pyrazol-1-yl)-1,4-dihydroxybenzene (CuCCP), which has been suggested to be a good realization…
We study the spin fluctuation dynamics of Cu-O chains in the oxygen deficient planes of YBa(2)Cu(3)O(6+x). The chains are described by a model including antiferromagnetic interactions between the spins and Kondo-like scattering of the…
Magnetic properties of the $S = 1/2$ antiferromagnet $\alpha$-Cu$_{2}$V$_{2}$O$_{7}$ have been studied using magnetization, Quantum Monte Carlo (QMC) simulations, and neutron diffraction. Magnetic susceptibility shows a broad peak at…
In a comment on arXiv:1006.5070v1, Drechsler et al. present new band-structure calculations suggesting that the frustrated ferromagnetic spin-1/2 chain LiCuVO4 should be described by a strong rather than weak ferromagnetic nearest-neighbor…
The ferromagnetism of the checkerboard lattice Hubbard model at quarter filling is one of the few exact ferromagnetic ground states known in the family of Hubbard models. When the nearest neighbor hopping, t1, is negligible compared with…
Universal scaling laws can guide the understanding of new phenomena, and for cuprate high-temperature superconductivity such an early influential relation showed that the critical temperature of superconductivity ($T_c$) correlates with the…
In the study of entanglement in a spin chain, people often consider the nearest-neighbor spins. The motivation is the prevailing role of the short range interactions in creating quantum correlation between the 1st neighbor (1N) spins. Here,…
We report magnetic properties of a 3d$^9$ (Cu$^{2+}$) magnetic insulator Cu2OSO4 measured on both powder and single crystal. The magnetic atoms of this compound form layers, whose geometry can be described either as a system of chains…
The effects of spin-1 impurities introduced in dimerized antiferromagnetic spin chains are studied using Lanczos diagonalization and quantum Monte Carlo simulations. Firstly, the magnitude of the interaction between a Ni-ion replacing a…
We investigate a spin-1/2 antiferromagnetic chain with trimerized exchange couplings relevant to Na$_2$Cu$_3$Ge$_4$O$_{12}$. We show that the low-energy Hilbert space maps onto an effective Heisenberg chain of composite spin-1/2 trimer…