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

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

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

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

Direct Calculation of the Spin Stiffness in the J1J_1--J2J_2 Heisenberg Antiferromagnet

We calculate the spin stiffness $\rho_s$ for the frustrated spin-$\frac{1}{2}$ Heisenberg antiferromagnet on a square lattice by exact diagonalizations on finite clusters of up to $36$ sites followed by extrapolations to the thermodynamic limit. For the non-frustrated case, we find that $\rho_s = (0.183\pm 0.003)J_1$, in excellent agreement with the best results obtained by other means. Turning on frustration, the extrapolated stiffness vanishes for $0.4 \lesssim J_2/J_1 \lesssim 0.6$. In this intermediate region, the finite-size scaling works poorly -- an additional sign that their is neither N\'eel nor collinear magnetic order. Using a hydrodynamic relation, and previous results for the transverse susceptibility, we also estimate the spin-wave velocity in the N\'eel-ordered region.Comment: 4 pages, uuencoded compressed ps-file (made with uufiles

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

Direct Calculation of Spin-Stiffness for Spin-1/2 Heisenberg Models

The spin-stiffness of frustrated spin-1/2 Heisenberg models in one and two dimensions is computed for the first time by exact diagonalizations on small clusters that implement spin-dependent twisted boundary conditions. Finite-size extrapolation to the thermodynamic limit yields a value of $0.14\pm 0.01$ for the spin-stiffness of the unfrustrated planar antiferromagnet. We also present a general discussion of the linear-response theory for spin-twists, which ultimately leads to the moment sum-rule.Comment: 11 pgs, TeX, LA-UR-94-94 (to be published in Phys. Rev. B

Resonant X-Ray Magnetic Scattering from CoO

We analyze the recent experiment [W. Neubeck {\em et al.}, Phys. Rev. B \vol(60,1999,R9912)] for the resonant x-ray magnetic scattering (RXMS) around the K edge of Co in the antiferromagnet CoO. We propose a mechanism of the RXMS to make the $4p$ states couple to the magnetic order: the intraatomic exchange interaction between the $4p$ and the $3d$ states and the $p$-$d$ mixing to the $3d$ states of neighboring Co atoms. These couplings induce the orbital moment in the $4p$ states and make the scattering tensor antisymmetric. Using a cluster model, we demonstrate that this modification gives rise to a large RXMS intensity in the dipole process, in good agreement with the experiment. We also find that the pre-edge peak is generated by the transition to the $3d$ states in the quadrupole process, with negligible contribution of the dipole process. We also discuss the azimuthal angle dependence of the intensity.Comment: 15 pages, 8 figure

Resonant X-Ray Scattering from the Quadrupolar Ordering Phase of CeB_6

We theoretically investigate the origin of the resonant x-ray scattering (RXS) signal near the Ce $L_{III}$ absorption edge in the quadrupolar ordering phase of CeB$_6$, considering the intersite interaction between the $\Gamma_8$ states in the initial state. The anisotropic charge distribution of the $4f$ states modulates the $5d$ states through the intra-atomic Coulomb interaction and thereby generates a large RXS superlattice intensity. The temperature and magnetic field dependence indicates that the induced dipolar and octupolar orders have little influence on the RXS spectra, in good agreement with the recent experiment.Comment: 4 pages, 4 figure

Energy separation of single-particle and continuum states in a S=1/2 weakly-coupled chains antiferromagnet

Inelastic neutron scattering is used to study transverse-polarized magnetic excitations in the quasi-one-dimensional S=1/2 antiferromagnet BaCu_2Si_2O_7, where the saturation value for the N\'eel order parameter is $m_0=0.12 \mu_{\rm B}$ per spin. At low energies the spectrum is totally dominated by resolution-limited spin wave-like excitations. An excitation continuum sets in above a well-defined threshold frequency. Experimental results are discussed in the context of current theories for weakly-interacting quantum half-integer spin chains.Comment: 4 pages 4 figure