Related papers: $Sr\_{14}Cu\_{24}O\_{41}$ : a complete model for t…
A recently discovered magnetic semiconductor Ba$_{1-x}$K$_{x}$(Zn$_{1-y}$Mn$_{y}$)$_2$As$_{2}$, with its decoupled spin and charge doping, provides a unique opportunity to elucidate the microscopic origin of the magnetic interaction and…
An exact-diagonalization technique on small clusters is used to study the ground state of the dimerized t-J model at quarter filling. The equal-time charge and spin correlations, charge and spin gaps, and binding energy are calculated for…
The construction of the Zhang-Rice singlet is revisited in the light of recent understanding of high-temperature superconductors at optimal doping. A minimal local model is derived which contains the physical regime found relevant for ARPES…
The electronic and magnetic structure, including the Heisenberg model exchange interaction parameters, was explored for the recently proposed novel cuprate Cu$_2$F$_5$. Using the DFT+U calculation, it is shown that the compound is formed by…
The crystal and magnetic structures of the S = 3/2 chain antiferromagnet beta-CaCr2O4 have been investigated by means of specific heat, magnetization, muon relaxation and neutron powder diffraction between 300K and 1.5K. Owing to the…
How particular bonds form in quantum materials has been a long-standing puzzle. Two key concepts dealing with charge degrees of freedom are dimerization (forming metal-metal bonds) and charge ordering (CO). Since the 1930s, these two…
We consider the effect of the nearest neighbour copper-oxygen repulsion, V, when coupled to the charge transfer resonances Cu2+ to Cu3+ and Cu2+ to Cu+ in the high temperature cuprate superconductors. This is done by deriving effective low…
The dimensionality of a correlated many-body system has a large impact on its electronic properties. When electrons are confined to one-dimensional chains of atoms their behavior is very different than in higher dimensional systems because…
The spin-$1/2$ chain with antiferromagnetic exchange $J_1$ and $J_2 = \alpha J_1$ between first and second neighbors, respectively, has both gapless and gapped ($\Delta(\alpha) > 0$) quantum phases at frustration $0 \le \alpha \le 3/4$. The…
We use density-functional band-structure calculations to explore the origin of the up-up-down-down (UUDD) magnetic order in Cu$_2$GeO$_4$ with the frustrated $J_1-J_2$ spin chains coupled into layers within the spinel-like crystal…
Using thermodynamic measurements and density-functional band-structure calculations, we explore magnetic behavior of SrCuTe2O6. Despite being a structural sibling of a three-dimensional frustrated system PbCuTe2O6, this spin-1/2 quantum…
Inelastic neutron scattering experiments have been carried out on a powder sample of Cu2PO4OH, which consists of diamond-shaped tetramer spin units with S=1/2. We have observed two nearly dispersionless magnetic excitations at E1~12 and…
We study spontaneous dimerization transitions in a Heisenberg spin-1 chain with additional next-nearest neighbor (NNN) and 3-site interactions using extensive numerical simulations and a conformal field theory analysis. We show that the…
Single crystals of a metal organic complex \ce{(C5H12N)CuBr3} (\ce{C5H12N} = piperidinium, pipH for short) have been synthesized and the structure was determined by single-crystal X-ray diffraction. \ce{(pipH)CuBr3} crystallizes in the…
We study the t-J model with four holes on a 32-site square lattice using exact diagonalization. This system corresponds to doping level x=1/8. At the ``realistic'' parameter J/t=0.3, holes in the ground state of this system are unbound.…
Spin models that have been proposed to describe dimerized chains, ladders, two dimensional antiferromagnets, and other compounds are here studied when some spins are replaced by spinless vacancies, such as it occurs by $Zn$ doping. A small…
The effect of the additional second neighbor hopping t' on the charge dynamics of the t-J model in the underdoped regime is studied within the fermion-spin theory. The conductivity spectrum of the t-t'-J model shows the low-energy peak and…
The unoccupied electronic structure for the Sr_14Cu_24O_41 family of two-leg ladder compounds was investigated for different partial substitutions of Sr^2+ by Ca^2+, leaving the nominal hole count constant, and by Y^3+ or La^3+, reducing…
We propose a possible mechanism of the charge stripe order due to the next-nearest neighbor exchange interaction J' in the two-dimensional t-J model, based on the concept of the phase separation. We also calculate some hole correlation…
The observation of room temperature ferromagnetism along with a low temperature paramagnetic counterpart in undoped Cu-Cu2O-rGO nanocomposite was demonstrated. A phenomenological approach was taken to explain the observations based on 3D…