71 research outputs found
Theory of Kondo lattices and its application to high-temperature superconductivity and pseudo-gaps in cuprate oxides
A theory of Kondo lattices is developed for the t-J model on a square
lattice. The spin susceptibility is described in a form consistent with a
physical picture of Kondo lattices: Local spin fluctuations at different sites
interact with each other by a bare intersite exchange interaction, which is
mainly composed of two terms such as the superexchange interaction, which
arises from the virtual exchange of spin-channel pair excitations of electrons
across the Mott-Hubbard gap, and an exchange interaction arising from that of
Gutzwiller's quasi-particles. The bare exchange interaction is enhanced by
intersite spin fluctuations developed because of itself. The enhanced exchange
interaction is responsible for the development of superconducting fluctuations
as well as the Cooper pairing between Gutzwiller's quasi-particles. On the
basis of the microscopic theory, we develop a phenomenological theory of
low-temperature superconductivity and pseudo-gaps in the under-doped region as
well as high-temperature superconductivity in the optimal-doped region.
Anisotropic pseudo-gaps open mainly because of d\gamma-wave superconducting
low-energy fluctuations: Quasi-particle spectra around (\pm\pi/a,0) and
(0,\pm\pi/a), with a the lattice constant, or X points at the chemical
potential are swept away by strong inelastic scatterings, and quasi-particles
are well defined only around (\pm\pi/2a,\pm\pi/2a) on the Fermi surface or
line. As temperatures decrease in the vicinity of superconducting critical
temperatures, pseudo-gaps become smaller and the well-defined region is
extending toward X points. The condensation of d\gamma-wave Cooper pairs
eventually occurs at low enough temperatures when the pair breaking by
inelastic scatterings becomes small enough.Comment: 15 pages, 14 figure
Anisotropic Superexchange for nearest and next nearest coppers in chain, ladder and lamellar cuprates
We present a detailed calculation of the magnetic couplings between
nearest-neighbor and next-nearest-neighbor coppers in the edge-sharing
geometry, ubiquitous in many cuprates. In this geometry, the interaction
between nearest neighbor coppers is mediated via two oxygens, and the Cu-O-Cu
angle is close to 90 degrees. The derivation is based on a perturbation
expansion of a general Hubbard Hamiltonian, and produces numerical estimates
for the various magnetic energies. In particular we find the dependence of the
anisotropy energies on the angular deviation away from the 90 degrees geometry
of the Cu-O-Cu bonds. Our results are required for the correct analysis of the
magnetic structure of various chain, ladder and lamellar cuprates.Comment: 13 pages, Latex, 7 figure
Weak antiferromagnetism due to Dzyaloshinskii-Moriya interaction in BaCuOCl
The antiferromagnetic insulating cuprate BaCuOCl contains
folded CuO chains with four magnetic copper ions () per unit cell.
An underlying multiorbital Hubbard model is formulated and the superexchange
theory is developed to derive an effective spin Hamiltonian for this cuprate.
The resulting spin Hamiltonian involves a Dzyaloshinskii-Moriya term and a more
weak symmetric anisotropic exchange term besides the isotropic exchange
interaction. The corresponding Dzyaloshinskii-Moriya vectors of each magnetic
Cu-Cu bond in the chain reveal a well defined spatial order. Both, the
superexchange theory and the complementary group theoretical consideration,
lead to the same conclusion on the character of this order. The analysis of the
ground-state magnetic properties of the derived model leads to the prediction
of an additional noncollinear modulation of the antiferromagnetic structure.
This weak antiferromagnetism is restricted to one of the Cu sublattices.Comment: 13 pages, 1 table, 4 figure
Ab initio investigation of VOSeO3, a spin gap system with coupled spin dimers
Motivated by an early experimental study of VOSeO3, which suggested that it
is a quasi-2D system of weakly coupled spin dimers with a small spin gap, we
have investigated the electronic structure of this material via
density-functional calculations. These ab initio results indicate that the
system is better thought of as an alternating spin-1/2 chain with moderate
interchain interactions, an analog of (VO)2P2O7. The potential interest of this
system for studies in high magnetic field given the presumably small value of
the spin gap is emphasized.Comment: 4 pages, 5 figure
Oxygen Moment Formation and Canting in Li2CuO2
The possibilities of oxygen moment formation and canting in the quasi-1D
cuprate Li2CuO2 are investigated using single crystal neutron diffraction at 2
K. The observed magnetic intensities could not be explained without the
inclusion of a large ordered oxygen moment of 0.11(1) Bohr magnetons.
Least-squares refinement of the magnetic structure of Li2CuO2 in combination
with a spin-density Patterson analysis shows that the magnetization densities
of the Cu and O atoms are highly aspherical, forming quasi-1D ribbons of
localised Cu and O moments. Magnetic structure refinements and low-field
magnetization measurements both suggest that the magnetic structure of Li2CuO2
at 2 K may be canted. A possible model for the canted configuration is
proposed.Comment: 10 pages, 8 figures (screen resolution
CuSiO_3 : a quasi - one - dimensional S=1/2 antiferromagnetic chain system
CuSiO_3, isotypic to the spin - Peierls compound CuGeO_3, was discovered
recently as a metastable decomposition product of the silicate mineral
dioptase, Cu_6Si_6O_{18}\cdot6H_2O. We investigated the physical properties of
CuSiO_3 using susceptibility, magnetization and specific heat measurements on
powder samples. The magnetic susceptibility \chi(T) is reproduced very well
above T = 8 K by theoretical calculations for an S=1/2 antiferromagnetic
Heisenberg linear chain without frustration (\alpha = 0) and a nearest -
neighbor exchange coupling constant of J/k_{B} = 21 K, much weaker than in
CuGeO_3. Below 8 K the susceptibility exhibits a substantial drop. This feature
is identified as a second - order phase transition at T_{0} = 7.9 K by specific
heat measurements. The influence of magnetic fields on T_{0} is weak, and ac -
magnetization measurements give strong evidence for a spin - flop - phase at
\mu_0H_{SF} ~ 3 T. The origin of the magnetic phase transition at T_{0} = 7.9 K
is discussed in the context of long - range antiferromagnetic order (AF) versus
spin - Peierls(SP)order. Susceptibility and specific heat results support the
AF ordered ground state. Additional temperature dependent ^{63,65}Cu nuclear
quadrupole resonance experiments have been carried out to probe the Cu^{2+}
electronic state and the spin dynamics in CuSiO_3
Theory of spin wave excitations of metallic A-type antiferromagnetic manganites
The spin dynamic of the metallic A-type antiferromagnetic manganites is
studied. An effective nearest-neighbour Heisenberg spin wave dispersion is
derived from the double exchange model taking into account the superexchange
interaction between the core spins. The result of inelastic neutron scattering
experiment on is qualitatively reproduced.
Comparing theory with experimental data two main parameters of the model:
nearest-neighbour electron transfer amplitude and superexchange coupling
between the core spins are estimated.Comment: to appear in Phys. Rev.
Phase diagrams of in Double Exchange Model with added antiferromagnetic and Jahn-Teller interaction
The phase diagram of the multivalent manganites , in
space of temperature and doping , is a challenge for the theoretical
physics. It is an important test for the model used to study these compounds
and the method of calculation. To obtain theoretically this diagram for
, we consider the two-band Double Exchange Model for manganites with
added Jahn-Teller coupling and antiferromagnetic Heisenberg term. In order to
calculate Curie and N\'{e}el temperatures we derive an effective Heisenberg
model for a vector which describes the local orientation of the total
magnetization of the system. The exchange constants of this model are different
for different space directions and depend on the density of electrons,
antiferromagnetic constants and the Jahn-Teller energy. To reproduce the well
known phase transitions from A-type antiferromagnetism to ferromagnetism at low
and C-type antiferromagnetism to G-type antiferromagnetism at large , we
argue that the antiferromagnetic exchange constants should depend on the
lattice direction. We show that ferromagnetic to A-type antiferromagnetic
transition results from the Jahn-Teller distortion. Accounting adequately for
the magnon-magnon interaction, Curie and N\'{e}el temperatures are calculated.
The results are in very good agreement with the experiment and provide values
for the model parameters, which best describe the behavior of the critical
temperature for .Comment: 13 pages, 5 figure
Dynamical mean field theory for transition temperature and optics of CMR manganites
A tight binding parametrization of local spin density functional band theory
is combined with a dynamical mean field treatment of correlations to obtain a
theory of the magnetic transition temperature, optical conductivity and T=0
spinwave stiffness of a minimal model for the pseudocubic metallic
manganites such a . The results indicate that previous
estimates of obtained by one of us (Phys. Rev. \textbf{B61} 10738-49
(2000)) are in error, that in fact the materials are characterized by Hunds
coupling , and that magnetic-order driven changes in the
kinetic energy may not be the cause of the observed 'colossal' magnetoresistive
and multiphase behavior in the manganites, raising questions about our present
understanding of these materials.Comment: Published version; 10 pages, 9 figure
Halogen-mediated exchange in the coupled-tetrahedra quantum spin systems Cu2Te2O5X2 (X=Br,Cl)
Motivated by recent discussion on possible quantum critical behavior in the
coupled Cu-tetrahedra system Cu2Te2O5Br2, we present a comparative ab initio
study of the electronic properties of Cu2Te2O5Br2 and the isostructural
Cu2Te2O5Cl2.
A detailed investigation of the copper-copper interaction pathes reveals that
the halogen-ions play an important role in the inter-tetrahedral couplings via
X_4-rings (X=Br, Cl).
We find that, contrary to initial indications, both systems show a similar
electronic behavior with long range exchange pathes mediated by the X_4-rings.Comment: 5 pages, 7 figure
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