X-Ray Magnetic Circular Dichroism at the K edge of Mn3GaC

We theoretically investigate the origin of the x-ray magnetic circular dichroism (XMCD) spectra at the K edges of Mn and Ga in the ferromagnetic phase of Mn3GaC on the basis of an ab initio calculation. Taking account of the spin-orbit interaction in the LDA scheme, we obtain the XMCD spectra in excellent agreement with the recent experiment. We have analyzed the origin of each structure, and thus elucidated the mechanism of inducing the orbital polarization in the p symmetric states. We also discuss a simple sum rule connecting the XMCD spectra with the orbital moment in the p symmetric states.Comment: 5 pages, 5 figures, accepted for publication in Physical Review

Mechanism of resonant x-ray magnetic scattering in NiO

We study the resonant x-ray magnetic scattering (RXMS) around the K edge of Ni in the antiferromagnet NiO, by treating the 4p states of Ni as a band and the 3d states as localized states. We propose a mechanism that the 4p states are coupled to the magnetic order through the intra-atomic Coulomb interaction between the 4p and the 3d states and through the p-d mixing to the 3d states of neighboring Ni atoms. These couplings induce the orbital moment in the 4p band, and thereby give rise to the RXMS intensity at the K edge in the dipolar process. It is found that the spin-orbit interaction in the 4p band has negligibly small contribution to the RXMS intensity. The present model reproduces well the experimental spectra. We also discuss the azimuthal angle dependence of the intensity.Comment: 10 pages (revtex) and 7 postscript figure

4p states and X-Ray Spectroscopy

The 4p states in transition metals and their compounds usually play minor roles on their physical quantities. Recent development of resonant x-ray scattering (RXS) at the K-edge of transition metals, however, casts light on the 4p states, because the signals on orbital and magnetic superlattice spots are brought about by the modulation in the 4p states. The 4p states are extending in solids and thereby sensitive to electronic states at neighboring sites. This characteristic determines the mechanism of RXS that the intensity on the orbital superlattice spots are mainly generated by the lattice distortion and those on magnetic superlattice spots by the coupling of the 4p states with the orbital polarization in the 3d states at neighboring sites. Taking up typical examples for orbital and magnetic RXS, we demonstrate these mechanisms on the basis of the band structure calculation. Finally, we study the MCD spectra at the K-edge, demonstrating that the same mechanism as the magnetic RXS is working.Comment: 9 pages, 9 figures, submitted to Physica Scripta (comment

Spin Excitations and Sum Rules in the Heisenberg Antiferromagnet

Various bounds for the energy of collective excitations in the Heisenberg antiferromagnet are presented and discussed using the formalism of sum rules. We show that the Feynman approximation significantly overestimates (by about 30\% in the $S={1\over2}$ square lattice) the spin velocity due to the non negligible contribution of multi magnons to the energy weighted sum rule. We also discuss a different, Goldstone type bound depending explicitly on the order parameter (staggered magnetization). This bound is shown to be proportional to the dispersion of classical spin wave theory with a q-independent normalization factor. Rigorous bounds for the excitation energies in the anisotropic Heisenberg model are also presented.Comment: 26 pages, Plain TeX including 1 PostScript figure, UTF-307-10/9

Spin Waves in Quantum Antiferromagnets

Using a self-consistent mean-field theory for the $S=1/2$ Heisenberg antiferromagnet Kr\"uger and Schuck recently derived an analytic expression for the dispersion. It is exact in one dimension ($d=1$) and agrees well with numerical results in $d=2$. With an expansion in powers of the inverse coordination number $1/Z$ ($Z=2d$) we investigate if this expression can be {\em exact} for all $d$. The projection method of Mori-Zwanzig is used for the {\em dynamical} spin susceptibility. We find that the expression of Kr\"uger and Schuck deviates in order $1/Z^2$ from our rigorous result. Our method is generalised to arbitrary spin $S$ and to models with easy-axis anisotropy \D. It can be systematically improved to higher orders in $1/Z$. We clarify its relation to the $1/S$ expansion.Comment: 8 pages, uuencoded compressed PS-file, accepted as Euro. Phys. Lette

Magnetic Impurity in the two-dimensional Heisenberg Antiferromagnet

We analyze the ground state properties of the two-dimensional quantum antiferromagnet with a S=1/2 Kondo impurity. Perturbation theory around the strong Kondo coupling limit is developed and the results compared with studies, based on exact diagonalization of small clusters. We find that at intermediate coupling the impurity is partially screened and the magnetization locally suppressed. A local singlet between the impurity and the host spin is formed asymptotically.Comment: 12 REVTex pages, 4 Postscript figure

Interaction Effect in the Kondo Energy of the Periodic Anderson-Hubbard Model

We extend the periodic Anderson model by switching on a Hubbard $U_d$ for the conduction electrons. The nearly integral valent (Kondo) limit of the Anderson--Hubbard model is studied with the Gutzwiller variational method. The new formula for the Kondo energy contains the $U_d$-dependent chemical potential of the Hubbard subsystem in the exponent, and the correlation-induced band narrowing in the prefactor. Both effects tend to suppress the Kondo scale, which can be understood to result from the blocking of hybridization (this behaviour is the opposite of that found for Kondo--Hubbard models). At half-filling, we find a Brinkman--Rice-type transition which leads from a small-gap Kondo insulator to a Mott insulator.Comment: 4 pages (ReVTeX), submitted for publicatio

Spin diffusion of the t-J model

The spin-diffusion constant of the 2D $t-J$ model is calculated for the first time using an analytical approach at high temperatures and a recently-developed numerical method based on the Lanczos technique combined with random sampling in the intermediate temperature regime. A simple relation, $\sigma = D_s\chi$, between spin conductivity and spin diffusion is established and used to calculate the latter. In the high-temperature and low-doping limit the calculated diffusion constant agrees with known results for the Heisenberg model. At small hole doping, $D_s$ increases approximately linearly with doping, which leads us to an important conclusion that hopping processes enhance spin diffusion at high temperatures. At modest hole doping, $\delta\sim 0.25$, diffusion exhibits a nonmonotonic temperature dependence, which indicates anomalous spin dynamics at small frequencies.Comment: 12 pages with figure

Spectral properties of the t-J model in the presence of hole-phonon interaction

We examine the effects of electron-phonon interaction on the dynamics of the charge carriers doped in two-dimensional (2D) Heisenberg antiferromagnet. The $t$-$J$ model Hamiltonian with a Fr\"ohlich term which couples the holes to a dispersionless (optical) phonon mode is considered for low doping concentration. The evolution of the spectral density function, the density of states, and the momentum distribution function of the holes with an increase of the hole-phonon coupling constant $g$ is studied numerically. As the coupling to a phonon mode increases the quasiparticle spectral weight decreases and a ``phonon satellite'' feature close to the quasi-particle peak becomes more pronounced. Furthermore, strong electron-phonon coupling smears the multi-magnon resonances (``string states'') in the incoherent part of the spectral function. The jump in the momentum distribution function at the Fermi surface is reduced without changing the hole pocket volume, thereby providing a numerical verification of Luttinger theorem for this strongly interacting system. The vertex corrections due to electron- phonon interaction are negligible in spite of the fact that the ratio of the phonon frequency to the effective bandwidth is not small.Comment: REVTeX, 20 pages, 9 figures, to be published in Phys. Rev. B (Nov. 1, 1996

Quantum-Critical Behavior in a Two-Layer Antiferromagnet

We analyze quantum Monte Carlo data in the vicinity of the quantum transition between a Neel state and a quantum paramagnet in a two-layer, square lattice spin 1/2 Heisenberg antiferromagnet. The real-space correlation function and the universal amplitude ratio of the structure factor and the dynamic susceptibility show clear evidence of quantum critical behavior at low temperatures. The numerical results are in good quantitative agreement with $1/N$ calculations for the $O(N)$ non-linear sigma model. A discrepancy, reported earlier, between the critical properties of the antiferromagnet and the sigma model is resolved. We also discuss the values of prefactors of the dynamic susceptibility and the structure factor in a single layer antiferromagnet at low $T$.Comment: 11 pages, REVtex file, 5 figures in a uuencoded, gziped file. One citation added