152 research outputs found
Theory for Phase Transitions in Insulating Vanadium Oxide
We show that the recently proposed S=2 bond model with orbital degrees of
freedom for insulating VO not only explains the anomalous magnetic
ordering, but also other mysteries of the magnetic phase transition. The model
contains an additional orbital degree of freedom that exhibits a zero
temperature quantum phase transtion in the Ising universality class.Comment: 5 pages, 2 figure
Orbitally Degenerate Spin-1 Model for Insulating V2O3
Motivated by recent neutron, X-ray absorption and resonant scattering
experiments, we revisit the electronic structure of V2O3. We propose a model in
which S=1 V3+ ions are coupled in the vertical V-V pairs forming two-fold
orbitally degenerate configurations with S=2. Ferro-orbital ordering of the V-V
pairs gives a description which is consistent with all experiments in the
antiferromagnetic insulating phase.Comment: 4 pages, including three figure
Valence band excitations in V_2O_5
We present a joint theoretical and experimental investigation of the
electronic and optical properties of vanadium pentoxide. Electron energy-loss
spectroscopy in transmission was employed to measure the momentum-dependent
loss function. This in turn was used to derive the optical conductivity, which
is compared to the results of band structure calculations. A good qualitative
and quantitative agreement between the theoretical and the experimental optical
conductivity was observed. The experimentally observed anisotropy of the
optical properties of V_2O_5 could be understood in the light of an analysis of
the theoretical data involving the decomposition of the calculated optical
conductivity into contributions from transitions into selected energy regions
of the conduction band. In addition, based upon a tight binding fit to the band
structure, values are given for the effective V3d_xy-O2p hopping terms and are
compared to the corresponding values for alpha'-NaV_2O_5.Comment: 6 pages (revtex),6 figures (jpg
Calculation of T_ odd effects in $"" sup 205_TIF including electron correlation
A method and codes for two-step correlation calculation of heavy-atom
molecules have been developed, employing the generalized relativistic effective
core potential and relativistic coupled cluster (RCC) methods at the first
step, followed by nonvariational one-center restoration of proper
four-component spinors in the heavy cores. Electron correlation is included for
the first time in an ab initio calculation of the interaction of the permanent
P,T-odd proton electric dipole moment with the internal electromagnetic field
in a molecule. The calculation is performed for the ground state of TlF at the
experimental equilibrium, R_e=2.0844 A, and at R=2.1 A, with spin-orbit and
correlation effects included by RCC. Calculated results with single cluster
amplitudes only are in good agreement (3% and 1%) with recent
Dirac-Hartree-Fock (DHF) values of the magnetic parameter M; the larger
differences occurring between present and DHF volume parameter (X) values, as
well as between the two DHF calculations, are explained. Inclusion of electron
correlation by GRECP/RCC with single and double excitations has a major effect
on the P,T-odd parameters, decreasing M by 17% and X by 22%.Comment: 5 pages, REVTeX4 style Accepted for publication in Phys.Rev.Letter
High-Efficiency Resonant RF Spin Rotator with Broad Phase Space Acceptance for Pulsed Polarized Cold Neutron Beams
We have developed a radio-frequency resonant spin rotator to reverse the
neutron polarization in a 9.5 cm x 9.5 cm pulsed cold neutron beam with high
efficiency over a broad cold neutron energy range. The effect of the spin
reversal by the rotator on the neutron beam phase space is compared
qualitatively to RF neutron spin flippers based on adiabatic fast passage. The
spin rotator does not change the kinetic energy of the neutrons and leaves the
neutron beam phase space unchanged to high precision. We discuss the design of
the spin rotator and describe two types of transmission-based neutron spin-flip
efficiency measurements where the neutron beam was both polarized and analyzed
by optically-polarized 3He neutron spin filters. The efficiency of the spin
rotator was measured to be 98.0+/-0.8% on resonance for neutron energies from
3.3 to 18.4 meV over the full phase space of the beam. As an example of the
application of this device to an experiment we describe the integration of the
RF spin rotator into an apparatus to search for the small parity-violating
asymmetry A_gamma in polarized cold neutron capture on para-hydrogen by the
NPDGamma collaboration at LANSCE
Finite temperature numerical renormalization group study of the Mott-transition
Wilson's numerical renormalization group (NRG) method for the calculation of
dynamic properties of impurity models is generalized to investigate the
effective impurity model of the dynamical mean field theory at finite
temperatures. We calculate the spectral function and self-energy for the
Hubbard model on a Bethe lattice with infinite coordination number directly on
the real frequency axis and investigate the phase diagram for the Mott-Hubbard
metal-insulator transition. While for T<T_c approx 0.02W (W: bandwidth) we find
hysteresis with first-order transitions both at U_c1 (defining the insulator to
metal transition) and at U_c2 (defining the metal to insulator transition), at
T>T_c there is a smooth crossover from metallic-like to insulating-like
solutions.Comment: 10 pages, 9 eps-figure
Electronic structure of Co_xTiSe_2 and Cr_xTiSe_2
The results of investigations of intercalated compounds Cr_xTiSe_2 and
Co_xTiSe_2 by X-ray photoelectron spectroscopy (XPS) and X-ray emission
spectroscopy (XES) are presented. The data obtained are compared with
theoretical results of spin-polarized band structure calculations. A good
agreement between theoretical and experimental data for the electronic
structure of the investigated materials has been observed. The interplay
between the M3d--Ti3d hybridization (M=Cr, Co) and the magnetic moment at the M
site is discussed. A 0.9 eV large splitting of the core Cr2p{3/2} level was
observed, which reveals a strong exchange magnetic interaction of 3d-2p
electrons of Cr. In the case of a strong localization of the Cr3d electrons
(for x<0.25), the broadening of the CrL spectra into the region of the states
above the nominal Fermi level was observed and attributed to X-ray re-emission.
The measured kinetic properties are in good accordance with spectral
investigations and band calculation results.Comment: 14 pages, 11 figures, submitted to Phys.Rev.
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 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.Comment: 18 pages, 16 figure
Observation of narrow baryon resonance decaying into in pA-interactions at with SVD-2 setup
SVD-2 experiment data have been analyzed to search for an exotic baryon
state, the -baryon, in a decay mode at on IHEP
accelerator. The reaction with a limited multiplicity was
used in the analysis. The invariant mass spectrum shows a resonant
structure with and . The statistical significance of this peak was estimated to be of . The mass and width of the resonance is compatible with the recently
reported - baryon with positive strangeness which was predicted as an
exotic pentaquark () baryon state. The total cross section for
production in pN-interactions for was estimated to be
and no essential deviation from A-dependence for inelastic
events was found.Comment: 8 pages, 7 figures, To be submitted to Yadernaya Fizika. v3-v5 - Some
references added, minor typos correcte
The Kondo Resonance in Electron Spectroscopy
The Kondo resonance is the spectral manifestation of the Kondo properties of
the impurity Anderson model, and also plays a central role in the dynamical
mean-field theory (DMFT) for correlated electron lattice systems. This article
presents an overview of electron spectroscopy studies of the resonance for the
4f electrons of cerium compounds, and for the 3d electrons of V_2O_3, including
beginning efforts at using angle resolved photoemission to determine the
k-dependence of the resonance. The overview includes the comparison and
analysis of spectroscopy data with theoretical spectra as calculated for the
impurity model and as obtained by DMFT, and the Kondo volume collapse
calculation of the cerium alpha-gamma phase transition boundary, with its
spectroscopic underpinnings.Comment: 32 pages, 11 figures, 151 references; paper for special issue of J.
Phys. Soc. Jpn. on "Kondo Effect--40 Years after the Discovery
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