Inhomogeneous Reionization Models in Cosmological Hydrodynamical Simulations

In this work we present a new hybrid method to simulate the thermal effects of the reionization in cosmological hydrodynamical simulations. The method improves upon the standard approach used in simulations of the intergalactic medium (IGM) and galaxy formation without a significant increase of the computational cost allowing for efficient exploration of the parameter space. The method uses a small set of phenomenological input parameters and combines a semi-numerical reionization model to solve for the topology of reionization and an approximate model of how reionization heats the IGM, with the massively parallel \texttt{Nyx} hydrodynamics code, specifically designed to solve for the structure of diffuse IGM gas. We have produced several large-scale high resolution cosmological hydrodynamical simulations ($2048^3$, $L_{\rm box} = 40$ Mpc/h) with different instantaneous and inhomogeneous HI reionization models that use this new methodology. We study the IGM thermal properties of these models and find that large scale temperature fluctuations extend well beyond the end of reionization. Analyzing the 1D flux power spectrum of these models, we find up to $\sim 50\%$ differences in the large scale properties (low modes, $k\lesssim0.01$ s/km) of the post-reionization power spectrum due to the thermal fluctuations. We show that these differences could allow one to distinguish between different reionization scenarios already with existing Ly$\alpha$ forest measurements. Finally, we explore the differences in the small-scale cutoff of the power spectrum and we find that, for the same heat input, models show very good agreement provided that the reionization redshift of the instantaneous reionization model happens at the midpoint of the inhomogeneous model.Comment: 24 pages, 16 figures. Accepted by MNRAS. Minor changes to match published versio

Inhomogeneous reionization models in cosmological hydrodynamical simulations

In this work we present a new hybrid method to simulate the thermal effects of reionization in cosmological hydrodynamical simulations. The method improves upon the standard approach used in simulations of the intergalactic medium (IGM) and galaxy formation without a significant increase in the computational cost, thereby allowing for efficient exploration of the parameter space. The method uses a small set of phenomenological input parameters, and combines a seminumerical reionization model to solve for the topology of reionization with an approximate model of how reionization heats the IGM, using the massively parallel Nyx hydrodynamics code which is specifically designed to solve for the structure of diffuse IGM gas. We have produced several medium-scale, high-resolution simulations (20483, Lbox = 40 Mpc h-1) with various instantaneous and inhomogeneous ${\rm H\,{\small I}}$ reionization models that use this new methodology. We study the IGM thermal properties of these models and find that large-scale temperature fluctuations extend well beyond the end of reionization. By analysing the 1D flux power spectrum of these models, we find up to {\sim } 50{{\\rm per\cent}} differences in the large-scale properties (low modes, k ≲0.01 s km-1) of the post-reionization power spectrum as a result of the thermal fluctuations. We show that these differences could allow one to distinguish between different reionization scenarios with existing Lyα forest measurements. Finally, we explore the differences in the small-scale cut-off of the power spectrum, finding that, for the same heat input, models show very good agreement provided that the reionization redshift of the instantaneous reionization model occurs at the midpoint of the inhomogeneous model

Orbital Order and Spontaneous Orthorhombicity in Iron Pnictides

A growing list of experiments show orthorhombic electronic anisotropy in the iron pnictides, in some cases at temperatures well above the spin density wave transition. These experiments include neutron scattering, resistivity and magnetoresistance measurements, and a variety of spectroscopies. We explore the idea that these anisotropies stem from a common underlying cause: orbital order manifest in an unequal occupation of $d_{xz}$ and $d_{yz}$ orbitals, arising from the coupled spin-orbital degrees of freedom. We emphasize the distinction between the total orbital occupation (the integrated density of states), where the order parameter may be small, and the orbital polarization near the Fermi level which can be more pronounced. We also discuss light-polarization studies of angle-resolved photoemission, and demonstrate how x-ray absorption linear dichroism may be used as a method to detect an orbital order parameter.Comment: Orig.: 4+ pages; Rev.: 4+ pages with updated content and reference

Resonant Enhancement of Charge Density Wave Diffraction in the Rare-Earth Tritellurides

We performed resonant soft X-ray diffraction on known charge density wave (CDW) compounds, rare earth tri-tellurides. Near the $M_5$ (3d - 4f) absorption edge of rare earth ions, an intense diffraction peak is detected at a wavevector identical to that of CDW state hosted on Te$_2$ planes, indicating a CDW-induced modulation on the rare earth ions. Surprisingly, the temperature dependence of the diffraction peak intensity demonstrates an exponential increase at low temperatures, vastly different than that of the CDW order parameter. Assuming 4f multiplet splitting due to the CDW states,we present a model to calculate X-ray absorption spectrum and resonant profile of the diffraction peak, agreeing well with experimental observations. Our results demonstrate a situation where the temperature dependence of resonant X-ray diffraction peak intensity is not directly related to the intrinsic behavior of the order parameter associated with the electronic order, but is dominated by the thermal occupancy of the valence states.Comment: 7 pages, 5 figure

High pressure evolution of Fe2_{2}O3_{3} electronic structure revealed by X-ray absorption

We report the first high pressure measurement of the Fe K-edge in hematite (Fe$_2$O$_3$) by X-ray absorption spectroscopy in partial fluorescence yield geometry. The pressure-induced evolution of the electronic structure as Fe$_2$O$_3$ transforms from a high-spin insulator to a low-spin metal is reflected in the x-ray absorption pre-edge. The crystal field splitting energy was found to increase monotonically with pressure up to 48 GPa, above which a series of phase transitions occur. Atomic multiplet, cluster diagonalization, and density-functional calculations were performed to simulate the pre-edge absorption spectra, showing good qualitative agreement with the measurements. The mechanism for the pressure-induced phase transitions of Fe$_2$O$_3$ is discussed and it is shown that ligand hybridization significantly reduces the critical high-spin/low-spin pressure.Comment: 5 pages, 4 figures and 1 tabl

The Magic Angle "Mystery" in Electron Energy Loss Spectroscopy: Relativistic and Dielectric Corrections

Recently it has been demonstrated that a careful treatment of both longitudinal and transverse matrix elements in electron energy loss spectra can explain the mystery of relativistic effects on the {\it magic angle}. Here we show that there is an additional correction of order $(Z\alpha)^2$ where $Z$ is the atomic number and $\alpha$ the fine structure constant, which is not necessarily small for heavy elements. Moreover, we suggest that macroscopic electrodynamic effects can give further corrections which can break the sample-independence of the magic angle.Comment: 10 pages (double column), 6 figure

Symmetry breaking orbital anisotropy on detwinned Ba(Fe1-xCox)2As2 above the spin density wave transition

Nematicity, defined as broken rotational symmetry, has recently been observed in competing phases proximate to the superconducting phase in the cuprate high temperature superconductors. Similarly, the new iron-based high temperature superconductors exhibit a tetragonal to orthorhombic structural transition (i.e. a broken C4 symmetry) that either precedes or is coincident with a collinear spin density wave (SDW) transition in undoped parent compounds, and superconductivity arises when both transitions are suppressed via doping. Evidence for strong in-plane anisotropy in the SDW state in this family of compounds has been reported by neutron scattering, scanning tunneling microscopy, and transport measurements. Here we present an angle resolved photoemission spectroscopy study of detwinned single crystals of a representative family of electron-doped iron-arsenide superconductors, Ba(Fe1-xCox)2As2 in the underdoped region. The crystals were detwinned via application of in-plane uniaxial stress, enabling measurements of single domain electronic structure in the orthorhombic state. At low temperatures, our results clearly demonstrate an in-plane electronic anisotropy characterized by a large energy splitting of two orthogonal bands with dominant dxz and dyz character, which is consistent with anisotropy observed by other probes. For compositions x>0, for which the structural transition (TS) precedes the magnetic transition (TSDW), an anisotropic splitting is observed to develop above TSDW, indicating that it is specifically associated with TS. For unstressed crystals, the band splitting is observed close to TS, whereas for stressed crystals the splitting is observed to considerably higher temperatures, revealing the presence of a surprisingly large in-plane nematic susceptibility in the electronic structure.Comment: final version published in PNAS, including supplementary informatio