Ab initio and nuclear inelastic scattering studies of Fe3_3Si/GaAs heterostructures

The structure and dynamical properties of the Fe$_3$Si/GaAs(001) interface are investigated by density functional theory and nuclear inelastic scattering measurements. The stability of four different atomic configurations of the Fe$_3$Si/GaAs multilayers is analyzed by calculating the formation energies and phonon dispersion curves. The differences in charge density, magnetization, and electronic density of states between the configurations are examined. Our calculations unveil that magnetic moments of the Fe atoms tend to align in a plane parallel to the interface, along the [110] direction of the Fe$_3$Si crystallographic unit cell. In some configurations, the spin polarization of interface layers is larger than that of bulk Fe$_3$Si. The effect of the interface on element-specific and layer-resolved phonon density of states is discussed. The Fe-partial phonon density of states measured for the Fe$_3$Si layer thickness of three monolayers is compared with theoretical results obtained for each interface atomic configuration. The best agreement is found for one of the configurations with a mixed Fe-Si interface layer, which reproduces the anomalous enhancement of the phonon density of states below 10 meVComment: 14 pages, 9 figures, 4 table

Inequivalent routes across the Mott transition in V2O3 explored by X-ray absorption

The changes in the electronic structure of V2O3 across the metal-insulator transition induced by temperature, doping and pressure are identified using high resolution x-ray absorption spectroscopy at the V pre K-edge. Contrary to what has been taken for granted so far, the metallic phase reached under pressure is shown to differ from the one obtained by changing doping or temperature. Using a novel computational scheme, we relate this effect to the role and occupancy of the a1g orbitals. This finding unveils the inequivalence of different routes across the Mott transition in V2O

Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites

Using the newly developed VASP2WANNIER90 interface we have constructed maximally localized Wannier functions (MLWFs) for the e_g states of the prototypical Jahn-Teller magnetic perovskite LaMnO3 at different levels of approximation for the exchange-correlation kernel. These include conventional density functional theory (DFT) with and without additional on-site Hubbard U term, hybrid-DFT, and partially self-consistent GW. By suitably mapping the MLWFs onto an effective e_g tight-binding (TB) Hamiltonian we have computed a complete set of TB parameters which should serve as guidance for more elaborate treatments of correlation effects in effective Hamiltonian-based approaches. The method-dependent changes of the calculated TB parameters and their interplay with the electron-electron (el-el) interaction term are discussed and interpreted. We discuss two alternative model parameterizations: one in which the effects of the el-el interaction are implicitly incorporated in the otherwise "noninteracting" TB parameters, and a second where we include an explicit mean-field el-el interaction term in the TB Hamiltonian. Both models yield a set of tabulated TB parameters which provide the band dispersion in excellent agreement with the underlying ab initio and MLWF bands.Comment: 30 pages, 7 figure

Systematic Identification of Cell-Cell Communication Networks in the Developing Brain

Since the generation of cell-type specific knockout models, the importance of inter-cellular communication between neural, vascular, and microglial cells during neural development has been increasingly appreciated. However, the extent of communication between these major cell populations remains to be systematically mapped. Here, we describe EMBRACE (embryonic brain cell extraction using FACS), a method to simultaneously isolate neural, mural, endothelial, and microglial cells to more than 94% purity in ∼4 h. Utilizing EMBRACE we isolate, transcriptionally analyze, and build a cell-cell communication map of the developing mouse brain. We identify 1,710 unique ligand-receptor interactions between neural, endothelial, mural, and microglial cells in silico and experimentally confirm the APOE-LDLR, APOE-LRP1, VTN-KDR, and LAMA4-ITGB1 interactions in the E14.5 brain. We provide our data via the searchable “Brain interactome explorer”, available at https://mpi-ie.shinyapps.io/braininteractomeexplorer/. Together, this study provides a comprehensive map that reveals the richness of communication within the developing brain

Strange meson production in Al+Al collisions at 1.9A GeV

The production of K$^+$, K$^-$ and $\varphi$(1020) mesons is studied in Al+Al collisions at a beam energy of 1.9A GeV which is close or below the production threshold in NN reactions. Inverse slopes, anisotropy parameters, and total emission yields of K$^{\pm}$ mesons are obtained. A comparison of the ratio of kinetic energy distributions of K$^-$ and K$^+$ mesons to the HSD transport model calculations suggests that the inclusion of the in-medium modifications of kaon properties is necessary to reproduce the ratio. The inverse slope and total yield of $\phi$ mesons are deduced. The contribution to K$^-$ production from $\phi$ meson decays is found to be [17 $\pm$ 3 (stat) $^{+2}_{-7}$ (syst)] %. The results are in line with previous K$^{\pm}$ and $\phi$ data obtained for different colliding systems at similar incident beam energies.Comment: 16 pages, 11 figure

The Orbital Order Parameter in La0.95Sr0.05MnO3 probed by Electron Spin Resonance

The temperature dependence of the electron-spin resonance linewidth in La0.95Sr0.05MnO3 has been determined and analyzed in the paramagnetic regime across the orbital ordering transition. From the temperature dependence and the anisotropy of linewidth and $g$-value the orbital order can be unambiguously determined via the mixing angle of the wave functions of the $e_{\rm g}$-doublet. The linewidth shows a similar evolution with temperature as resonant x-ray scattering results

Centrality dependence of subthreshold ϕ\phi meson production in Ni+Ni collisions at 1.9A GeV

We analysed the $\phi$ meson production in central Ni+Ni collisions at the beam kinetic energy of 1.93A GeV with the FOPI spectrometer and found the production probability per event of $[8.6 ~\pm~ 1.6 ~(\text{stat}) \pm 1.5 ~(\text{syst})] \times 10^{-4}$. This new data point allows for the first time to inspect the centrality dependence of the subthreshold $\phi$ meson production in heavy-ion collisions. The rise of $\phi$ meson multiplicity per event with mean number of participants can be parameterized by the power function with exponent $\alpha = 1.8 \pm 0.6$. The ratio of $\phi$ to $\text{K}^-$ production yields seems not to depend within the experimental uncertainties on the collision centrality, and the average of measured values was found to be $0.36 \pm 0.05$.Comment: 9 pages, 5 figure