Coexistence of localized and itinerant electrons in BaFe2X3 (X = S and Se) revealed by photoemission spectroscopy

We report a photoemission study at room temperature on BaFe2X3 (X = S and Se) and CsFe2Se3 in which two-leg ladders are formed by the Fe sites. The Fe 2p core-level peaks of BaFe2X3 are broad and exhibit two components, indicating that itinerant and localized Fe 3d sites coexist similar to KxFe2-ySe2. The Fe 2p core-level peak of CsFe2Se3 is rather sharp and is accompanied by a charge-transfer satellite. The insulating ground state of CsFe2Se3 can be viewed as a Fe2+ Mott insulator in spite of the formal valence of +2.5. The itinerant versus localized behaviors can be associated with the stability of chalcogen p holes in the two-leg ladder structure.Comment: 5 pages, 5 figures, Accepted in publication for Physical Review

Orbital polarons and ferromagnetic insulators in manganites

We argue that in lightly hole doped perovskite-type Mn oxides the holes (Mn$^{4+}$ sites) are surrounded by nearest neighbor Mn$^{3+}$ sites in which the occupied $3d$ orbitals have their lobes directed towards the central hole (Mn$^{4+}$) site and with spins coupled ferromagnetically to the central spin. This composite object, which can be viewed as a combined orbital-spin-lattice polaron, is accompanied by the breathing type (Mn$^{4+}$) and Jahn-Teller type (Mn$^{3+}$) local lattice distortions. We present calculations which indicate that for certain doping levels these orbital polarons may crystallize into a charge and orbitally ordered ferromagnetic insulating state.Comment: 5 pages, 4 figures, to be published in PR

Unusual superexchange pathways in a Ni triangular lattice of NiGa2_2S4_4 with negative charge-transfer energy

We have studied the electronic structure of the Ni triangular lattice in NiGa$_2$S$_4$ using photoemission spectroscopy and subsequent model calculations. The cluster-model analysis of the Ni 2$p$ core-level spectrum shows that the S 3$p$ to Ni 3$d$ charge-transfer energy is $\sim$ -1 eV and the ground state is dominated by the $d^9L$ configuration ($L$ is a S 3$p$ hole). Cell perturbation analysis for the NiS$_2$ triangular lattice indicates that the strong S 3$p$ hole character of the ground state provides the enhanced superexchange interaction between the third nearest neighbor sites.Comment: 10 pages, 5 figures, accepted to PR

Prediction of Orbital Ordering in Single-Layered Ruthenates

The key role of the orbital degree of freedom to understand the magnetic properties of layered ruthenates is here discussed. In the G-type antiferromagnetic phase of Ca$_2$RuO$_4$, recent X-ray experiments reported the presence of 0.5 hole per site in the $d_{xy}$ orbital, while the $d_{\rm yz}$ and $d_{zx}$ orbitals contain 1.5 holes. This unexpected $t_{2g}$ hole distribution is explained by a novel state with orbital ordering (OO), stabilized by a combination of Coulomb interactions and lattice distortions. In addition, the rich phase diagram presented here suggests the possibility of large magnetoresistance effects, and predicts a new ferromagnetic OO phase in ruthenates.Comment: 4 pages, Revtex, with 2 figures embedded in the text. Submitted to Phys. Rev. Let

Charge and orbital ordering in underdoped La1-xSrxMnO3

We have explored spin, charge and orbitally ordered states in La1-xSrxMnO3 (0 < x < 1/2) using model Hartree-Fock calculations on d-p-type lattice models. At x=1/8, several charge and orbitally modulated states are found to be stable and almost degenerate in energy with a homogeneous ferromagnetic state. The present calculation indicates that a ferromagnetic state with a charge modulation along the c-axis which is consistent with the experiment by Yamada et al. might be responsible for the anomalous behavior around x = 1/8.Comment: 5 pages, 5 figure

Photoemission Spectral Weight Transfer and Mass Renormalization in the Fermi-Liquid System La1−x_{1-x}Srx_xTiO3+y/2_{3+y/2}

We have performed a photoemission study of La$_{1-x}$Sr$_x$TiO$_{3+y/2}$ near the filling-control metal-insulator transition (MIT) as a function of hole doping. Mass renormalization deduced from the spectral weight and the width of the quasi-particle band around the chemical potential $\mu$ is compared with that deduced from the electronic specific heat. The result implies that, near the MIT, band narrowing occurs strongly in the vicinity of $\mu$. Spectral weight transfer occurs from the coherent to the incoherent parts upon antiferromagnetic ordering, which we associate with the partial gap opening at $\mu$.Comment: 4 pages, 3 figure

Temperature dependence of iron local magnetic moment in phase-separated superconducting chalcogenide

We have studied local magnetic moment and electronic phase separation in superconducting K$_{x}$Fe$_{2-y}$Se$_2$ by x-ray emission and absorption spectroscopy. Detailed temperature dependent measurements at the Fe K-edge have revealed coexisting electronic phases and their correlation with the transport properties. By cooling down, the local magnetic moment of Fe shows a sharp drop across the superconducting transition temperature (T$_c$) and the coexisting phases exchange spectral weights with the low spin state gaining intensity at the expense of the higher spin state. After annealing the sample across the iron-vacancy order temperature, the system does not recover the initial state and the spectral weight anomaly at T$_c$ as well as superconductivity disappear. The results clearly underline that the coexistence of the low spin and high spin phases and the transitions between them provide unusual magnetic fluctuations and have a fundamental role in the superconducting mechanism of electronically inhomogeneous K$_{x}$Fe$_{2-y}$Se$_2$ system.Comment: 6 pages, 5 figure

Order from disorder: Quantum spin gap in magnon spectra of LaTiO_3

A theory of the anisotropic superexchange and low energy spin excitations in a Mott insulator with t_{2g} orbital degeneracy is presented. We observe that the spin-orbit coupling induces frustrating Ising-like anisotropy terms in the spin Hamiltonian, which invalidate noninteracting spin wave theory. The frustration of classical states is resolved by an order from disorder mechanism, which selects a particular direction of the staggered moment and generates a quantum spin gap. The theory explains well the observed magnon gaps in LaTiO_3. As a test case, a specific prediction is made on the splitting of magnon branches at certain momentum directions.Comment: 5 pages, 2 figures, final versio