arXiv subjects

Arata Tanaka

Publications and source records attributed to Arata Tanaka.

24 records · Page 2Linked to original sources

arXiv2015

Evidence for Gamma_8 Ground-State Symmetry of Cubic YbB12 Probed by Linear Dichroism in Core-Level Photoemission

We have successfully observed linear dichroism in angle-resolved Yb3+ 3d5/2 core-level photoemission spectra for YbB12 in cubic symmetry. Its anisotropic 4f charge distribution due to the crystal-field splitting is responsible for the linear dichroism, which has been verified by spectral simulations using ionic calculations with the full multiplet theory for a single-site Yb3+ ion in cubic symmetry. The observed linear dichroism as well as the polarization-dependent spectra in two different photoelectron directions for YbB12 are quantitatively reproduced by theoretical analysis for the Gamma_8 ground state, indicating the Gamma_8 ground-state symmetry for the Yb3+ ions mixed with the Yb2+ state.

cond-mat.str-el↗

arXiv2014

Probing Strongly Correlated 4f-Orbital Symmetry of the Ground State in Yb Compounds by Linear Dichroism in Core-Level Photoemission

We show that the strongly correlated 4f-orbital symmetry of the ground state is revealed by linear dichroism in core-level photoemission spectra as we have discovered for YbRh2Si2 and YbCu2Si2. Theoretical analysis tells us that the linear dichroism reflects the anisotropic charge distributions resulting from crystalline electric field. We have successfully determined the ground-state 4f symmetry for both compounds from the polarization-dependent angle-resolved core-level spectra at a low temperature well below the first excitation energy. The excited-state symmetry is also probed by temperature dependence of the linear dichroism where the high measuring temperatures are of the order of the crystal-field-splitting energies.

cond-mat.str-el↗

arXiv2008

Complex-Orbital Order in Fe_3O_4 and Mechanism of the Verwey Transition

Electronic state and the Verwey transition in magnetite (Fe_3O_4) are studied using a spinless three-band Hubbard model for 3d electrons on the B sites with the Hartree-Fock approximation and the exact diagonalisation method. Complex-orbital, e.g., 1/sqrt(2)[|zx> + i |yz>], ordered (COO) states having noncollinear orbital moments ~ 0.4 mu_B on the B sites are obtained with the cubic lattice structure of the high-temperature phase. The COO state is a novel form of magnetic ordering within the orbital degree of freedom. It arises from the formation of Hund's second rule states of spinless pseudo-d molecular orbitals in the Fe_4 tetrahedral units of the B sites and ferromagnetic alignment of their fictitious orbital moments. A COO state with longer periodicity is obtained with pseudo-orthorhombic Pmca and Pmc2_1 structures for the low-temperature phase. The state spontaneously lowers the crystal symmetry to the monoclinic and explains experimentally observed rhombohedral cell deformation and Jahn-Teller like distortion. From these findings, we consider that at the Verwey transition temperature, the COO state remaining to be short-range order impeded by dynamical lattice distortion in high temperature is developed into that with long-range order coupled with the monoclinic lattice distortion.

cond-mat.str-el↗

arXiv2003

A New Scenario on the Metal-Insulator Transition in VO2

The metal-insulator transition in VO2 was investigated using the three-band Hubbard model, in which the degeneracy of the 3d orbitals, the on-site Coulomb and exchange interactions, and the effects of lattice distortion were considered. A new scenario on the phase transition is proposed, where the increase in energy level separation among the t_2g orbitals caused by the lattice distortion triggers an abrupt change in the electronic configuration in doubly occupied sites from an S=1 Hund's coupling state to a spin S=0 state with much larger energy, and this strongly suppresses the charge fluctuation. Although the material is expected to be a Mott-Hubbard insulator in the insulating phase, the metal-to-insulator transition is not caused by an increase in relative strength of the Coulomb interaction against the electron hopping as in the usual Mott transition, but by the level splitting among the t_2g orbitals against the on-site exchange interaction. The metal-insulator transition in Ti2O3 can also be explained by the same scenario. Such a large change in the 3d orbital occupation at the phase transition can be detected by linear dichroic V 2p x-ray absorption measurements.

cond-mat↗

arXiv2002

Electronic Structure and Phase Transition in V2O3: Importance of 3d Spin-Orbit Interaction and Lattice Distortion

The 3d electronic structure and phase transition in pure and Cr doped V2O3 are theoretically investigated in relation to the 3d spin-orbit interaction and lattice distortion. A model consisting of the nearest-neighbor V ion pair with full degeneracy of the 3d orbitals is studied within the many-body point of view. It is shown that each V ion with S=1 spin state has a large orbital magnetic moment $\sim 0.7 μ_{\rm B}$ and no orbital ordering occurs in the antiferromagnetic insulating (AFI) phase. The anomalous resonant Bragg reflection found in the AFI phase is attributed to the magnetic ordering. In the AFI and paramagnetic insulating (PI) phases, Jahn-Teller like lattice instability leads to tilting of the V ion pairs from the corundum c-axis and this causes large difference in the orbital occupation between the paramagnetic metal and the insulating phases, which is consistent with linear dichroic V 2p XAS measurements. To understand the AFI to PI transition, a model spin Hamiltonian is also proposed. The transition is found to be simultaneous order-disorder transition of the magnetic moments and tilting directions of the V ion pairs. Softening of elastic constant C44 and abrupt change in short range spin correlations observed at the transition are also explained.

cond-mat.str-el↗

arXiv1999

Threshold electronic structure at the oxygen K edge of 3d transition metal oxides: a configuration interaction approach

It has been generally accepted that the threshold structure observed in the oxygen K edge X-ray absorption spectrum in 3d transition metal oxides represents the electronic structure of the 3d transition metal. There is, however, no consensus about the correct description. We present an interpretation, which includes both ground state hybridization and electron correlation. It is based on a configuration interaction cluster calculation using a MO6 cluster. The oxygen K edge spectrum is calculated by annihilating a ligand hole in the ground state and is compared to calculations representing inverse photoemission experiments in which a 3d transition metal electron is added. Clear differences are observed related to the amount of ligand hole created in the ground state. Two "rules" connected to this are discussed. Comparison with experimental data of some early transition metal compounds is made and shows that this simple cluster approach explains the experimental features quite well.

cond-mat.str-el↗