We report electronic Raman scattering measurements of Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ single crystals in their magnetic - Spin Density Wave (SDW) phase. The spectra display multiple, polarization-resolved SDW gaps as expected in a band-folding itinera
nt picture for a multiband system. The temperature dependence of the SDW gaps reveals an unusual evolution of the reconstructed electronic structure with at least one gap being activated only well below the magnetic SDW transition $T_N$. A comparison with temperature dependent Hall measurements allows us to assign this activated behavior to a change in the Fermi surface topology deep in the SDW phase, which we attribute to the disappearance of a hole-like Fermi pocket. Our results highlight the strong sensitivity of the low energy electronic structure to temperature in iron-arsenide superconductors.
Time- and angle-resolved extreme ultraviolet photoemission spectroscopy is used to study the electronic structure dynamics in BaFe$_2$As$_2$ around the high-symmetry points $Gamma$ and $M$. A global oscillation of the Fermi level at the frequency of
the $A_{1g}$(As) phonon mode is observed. It is argued that this behavior reflects a modulation of the effective chemical potential in the photoexcited surface region that arises from the high sensitivity of the band structure near the Fermi level to the $A_{1g}$ phonon mode combined with a low electron diffusivity perpendicular to the layers. The results establish a novel way to tune the electronic properties of iron pnictides: coherent control of the effective chemical potential. The results further suggest that the equilibration time for the effective chemical potential needs to be considered in the ultrafast electronic structure dynamics of materials with weak interlayer coupling.
We generalize the recently introduced dual fermion (DF) formalism for disordered fermion systems by including the effect of interactions. For an interacting disordered system the contributions to the full vertex function have to be separated into ela
stic and inelastic scattering processes, and addressed differently when constructing the DF diagrams. By applying our approach to the Anderson-Falicov-Kimball model and systematically restoring the nonlocal correlations in the DF lattice calculation, we show a significant improvement over the Dynamical Mean-Field Theory and the Coherent Potential Approximation for both one-particle and two-particle quantities.
We report Raman scattering measurement of charge nematic fluctuations in the tetragonal phase of BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ (x=0.04) single crystals. In both systems, the observed nematic fluctuations are found to exhibit diver
gent Curie-Weiss like behavior with very similar characteristic temperature scales, indicating a universal tendency towards charge nematic order in 122 iron-based superconductors.
Using first-principles calculations, we elucidate microscopic mechanisms of perpendicular magnetic anisotropy (PMA)in Fe/MgO magnetic tunnel junctions through evaluation of orbital and layer resolved contributions into the total anisotropy value. It
is demonstrated that the origin of the large PMA values is far beyond simply considering the hybridization between Fe-3d$ and O-2p orbitals at the interface between the metal and the insulator. On-site projected analysis show that the anisotropy energy is not localized at the interface but it rather propagates into the bulk showing an attenuating oscillatory behavior which depends on orbital character of contributing states and interfacial conditions. Furthermore, it is found in most situations that states with $d_{yz(xz)}$ and $d_{z^2}$ character tend always to maintain the PMA while those with $d_{xy}$ and $d_{x^2-y^2}$ character tend to favor the in-plane anisotropy. It is also found that while MgO thickness has no influence on PMA, the calculated perpendicular magnetic anisotropy oscillates as a function of Fe thickness with a period of 2ML and reaches a maximum value of 3.6 mJ/m$^2$.
To reduce the rapidly growing computational cost of the dual fermion lattice calculation with increasing system size, we introduce two embedding schemes. One is the real fermion embedding, and the other is the dual fermion embedding. Our numerical te
sts show that the real fermion and dual fermion embedding approaches converge to essentially the same result. The application on the Anderson disorder and Hubbard models shows that these embedding algorithms converge more quickly with system size as compared to the conventional dual fermion method, for the calculation of both single-particle and two-particle quantities.
While the coherent potential approximation (CPA) is the prevalent method for the study of disordered electronic systems, it fails to capture non-local correlations and Anderson localization. To incorporate such effects, we extend the dual fermion app
roach to disordered non-interacting systems using the replica method. Results for single- and two- particle quantities show good agreement with cluster extensions of the CPA; moreover, weak localization is captured. As a natural extension of the CPA, our method presents an alternative to the existing cluster theories. It can be used in various applications, including the study of disordered interacting systems, or for the description of non-local effects in electronic structure calculations.
We find that imposing the crossing symmetry in the iteration process considerably extends the range of convergence for solutions of the parquet equations for the Hubbard model. When the crossing symmetry is not imposed, the convergence of both simple
iteration and more complicated continuous loading (homotopy) methods are limited to high temperatures and weak interactions. We modify the algorithm to impose the crossing symmetry without increasing the computational complexity. We also imposed time reversal and a subset of the point group symmetries, but they did not further improve the convergence. We elaborate the details of the latency hiding scheme which can significantly improve the performance in the computational implementation. With these modifications, stable solutions for the parquet equations can be obtained by iteration more quickly even for values of the interaction that are a significant fraction of the bandwidth and for temperatures that are much smaller than the bandwidth. This may represent a crucial step towards the solution of two-particle field theories for correlated electron models.
The electronic structure of LaOFeAs, a parent compound of iron-arsenic superconductors, is studied by angleresolved photoemission spectroscopy. By examining its dependence on photon energy, polarization, sodium dosing and the counting of Fermi surfac
e volume, both the bulk and the surface contributions are identified. We find that a bulk band moves toward high binding energies below structural transition, and shifts smoothly across the spin density wave transition by about 25 meV. Our data suggest the band reconstruction may play a crucial role in the spin density wave transition, and the structural transition is driven by the short range magnetic order. For the surface states, both the LaO-terminated and FeAs-terminated components are revealed. Certain small band shifts are verified for the FeAs-terminated surface states in the spin density wave state, which is a reflection of the bulk electronic structure reconstruction. Moreover, sharp quasiparticle peaks quickly rise at low temperatures, indicating of drastic reduction of the scattering rate. A kink structure in one of the surface band is shown to be possibly related to the electron-phonon interactions.
We demonstrate temporal group delays in coherently-coupled high-Q multi-cavity photonic crystals, in an all-optical analogue to electromagnetically induced transparency. We report deterministic control of the group delay up to 4x the single cavity li
fetime in our CMOS-fabricated room-temperature chip. Supported by three-dimensional numerical simulations and theoretical analyses, our multi-pump beam approach enables control of the multi-cavity resonances and inter-cavity phase, in both single and double transparency peaks. The standing-wave wavelength-scale photon localization allows direct scalability for chip-scale optical pulse trapping and coupled-cavity QED.
