Electronic Structure of New AFFeAs Prototype of Iron Arsenide Superconductors

This work is provoked by recent discovery of new class prototype systems AFFeAs (A=Sr,Ca) of novel layered ironpnictide High-Tc superconductors (Tc=36K). Here we report ab initio LDA results for electronic structure of the AFFeAs systems. We provide detailed comparison between electronic properties of both new systems and reference LaOFeAs (La111) compound. In the vicinity of the Fermi level all three systems have essentially the same band dispersions. However for iron fluoride systems F(2p) states were found to be separated in energy from As(4p) ones in contrast to La111, where O(2p) states strongly overlaps with As(4p). Thus it should be more plausible to include only Fe(3d) and As(4p) orbitals into a realistic noninteracting model than for La111. Moreover Sr substitution with smaller ionic radius Ca in AFFeAs materials leads to a lattice contruction and stronger Fe(3d)-As(4p) hybridization resulting in smaller value of the density of states at the Fermi level in the case of Ca compound. So to some extend Ca system reminds RE111 with later Rare Earths. However Fermi surface of new fluorides is found to be nearly perfect two-dimensional. Also we do not expect strong dependence of superconducting properties with respect to different types of A substitutes.Comment: 5 pages, 4 figure

Trigonometric Sutherland systems and their Ruijsenaars duals from symplectic reduction

Besides its usual interpretation as a system of $n$ indistinguishable particles moving on the circle, the trigonometric Sutherland system can be viewed alternatively as a system of distinguishable particles on the circle or on the line, and these 3 physically distinct systems are in duality with corresponding variants of the rational Ruijsenaars-Schneider system. We explain that the 3 duality relations, first obtained by Ruijsenaars in 1995, arise naturally from the Kazhdan-Kostant-Sternberg symplectic reductions of the cotangent bundles of the group U(n) and its covering groups $U(1) \times SU(n)$ and ${\mathbb R}\times SU(n)$, respectively. This geometric interpretation enhances our understanding of the duality relations and simplifies Ruijsenaars' original direct arguments that led to their discovery.Comment: 34 pages, minor additions and corrections of typos in v

Optical orientation and alignment of excitons in direct and indirect band gap (In,Al)As/AlAs quantum dots with type-I band alignment

The spin structure and spin dynamics of excitons in an ensemble of (In,Al)As/AlAs quantum dots (QDs) with type-I band alignment, containing both direct and indirect band gap dots, are studied. Time-resolved and spectral selective techniques are used to distinguish between the direct and indirect QDs. The exciton fine structure is studied by means of optical alignment and optical orientation techniques in magnetic fields applied in the Faraday or Voigt geometries. A drastic difference in emission polarization is found for the excitons in the direct QDs involving a $\Gamma$-valley electron and the excitons in the indirect QDs contributed by an $X$-valley electron. We show that in the direct QDs the exciton spin dynamics is controlled by the anisotropic exchange splitting, while in the indirect QDs it is determined by the hyperfine interaction with nuclear field fluctuations. The anisotropic exchange splitting is determined for the direct QD excitons and compared with model calculations

Optical orientation and alignment of excitons in direct and indirect band gap (In,Al)As/AlAs quantum dots with type-I band alignment

The spin structure and spin dynamics of excitons in an ensemble of (In,Al)As/AlAs quantum dots (QDs) with type-I band alignment, containing both direct and indirect band gap dots, are studied. Time-resolved and spectral selective techniques are used to distinguish between the direct and indirect QDs. The exciton fine structure is studied by means of optical alignment and optical orientation techniques in magnetic fields applied in the Faraday or Voigt geometries. A drastic difference in emission polarization is found for the excitons in the direct QDs involving a $\Gamma$-valley electron and the excitons in the indirect QDs contributed by an $X$-valley electron. We show that in the direct QDs the exciton spin dynamics is controlled by the anisotropic exchange splitting, while in the indirect QDs it is determined by the hyperfine interaction with nuclear field fluctuations. The anisotropic exchange splitting is determined for the direct QD excitons and compared with model calculations

Electronic structure, magnetic and optical properties of intermetallic compounds R2Fe17 (R=Pr,Gd)

In this paper we report comprehensive experimental and theoretical investigation of magnetic and electronic properties of the intermetallic compounds Pr2Fe17 and Gd2Fe17. For the first time electronic structure of these two systems was probed by optical measurements in the spectral range of 0.22-15 micrometers. On top of that charge carriers parameters (plasma frequency and relaxation frequency) and optical conductivity s(w) were determined. Self-consistent spin-resolved bandstructure calculations within the conventional LSDA+U method were performed. Theoretical interpetation of the experimental s(w) dispersions indicates transitions between 3d and 4p states of Fe ions to be the biggest ones. Qualitatively the line shape of the theoretical optical conductivity coincides well with our experimental data. Calculated by LSDA+U method magnetic moments per formula unit are found to be in good agreement with observed experimental values of saturation magnetization.Comment: 16 pages, 5 figures, 1 tabl

Consistent LDA'+DMFT approach to electronic structure of transition metal oxides: charge transfer insulators and correlated metals

We discuss the recently proposed LDA'+DMFT approach providing consistent parameter free treatment of the so called double counting problem arising within the LDA+DMFT hybrid computational method for realistic strongly correlated materials. In this approach the local exchange-correlation portion of electron-electron interaction is excluded from self consistent LDA calculations for strongly correlated electronic shells, e.g. d-states of transition metal compounds. Then the corresponding double counting term in LDA+DMFT Hamiltonian is consistently set in the local Hartree (fully localized limit - FLL) form of the Hubbard model interaction term. We present the results of extensive LDA'+DMFT calculations of densities of states, spectral densities and optical conductivity for most typical representatives of two wide classes of strongly correlated systems in paramagnetic phase: charge transfer insulators (MnO, CoO and NiO) and strongly correlated metals (SrVO3 and Sr2RuO4). It is shown that for NiO and CoO systems LDA'+DMFT qualitatively improves the conventional LDA+DMFT results with FLL type of double counting, where CoO and NiO were obtained to be metals. We also include in our calculations transition metal 4s-states located near the Fermi level missed in previous LDA+DMFT studies of these monooxides. General agreement with optical and X-ray experiments is obtained. For strongly correlated metals LDA$^\prime$+DMFT results agree well with earlier LDA+DMFT calculations and existing experiments. However, in general LDA'+DMFT results give better quantitative agreement with experimental data for band gap sizes and oxygen states positions, as compared to the conventional LDA+DMFT.Comment: 13 pages, 11 figures, 1 table. In v2 there some additional clarifications are include

Relating Gauge Theories via Gauge/Bethe Correspondence

In this note, we use techniques from integrable systems to study relations between gauge theories. The Gauge/Bethe correspondence, introduced by Nekrasov and Shatashvili, identifies the supersymmetric ground states of an N=(2,2) supersymmetric gauge theory in two dimensions with the Bethe states of a quantum integrable system. We make use of this correspondence to relate three different quiver gauge theories which correspond to three different formulations of the Bethe equations of an integrable spin chain called the tJ model.Comment: 30 pages, published in JHEP. LaTeX problem correcte

On superconducting and magnetic properties of iron-oxypnictides

Pairing symmetry in oxypnictides, a new family of multiband high-Tc superconductors, is partially imposed by the positions of multiple Fermi pockets, which itself can give rise to new order parameters, such as s+,- states or the state of dx^2-y^2 symmetry. Other pairing states may appear on small pockets for long range interactions, but they are expected to be sensitive to defects. We identify the competing antiferromagnetic order with the triplet exciton transition in the semi- metallic background and discuss whether its coexistence with superconductivity explains the doping dependence of Tc.Comment: Fig1b replace

A note on instanton counting for N=2 gauge theories with classical gauge groups

We study the prepotential of N=2 gauge theories using the instanton counting techniques introduced by Nekrasov. For the SO theories without matter we find a closed expression for the full prepotential and its string theory gravitational corrections. For the more subtle case of Sp theories without matter we discuss general features and compute the prepotential up to instanton number three. We also briefly discuss SU theories with matter in the symmetric and antisymmetric representations. We check all our results against the predictions of the corresponding Seiberg-Witten geometries.Comment: 24 pages, LaTeX. v2: refs added. v3: typos correcte