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We present the results of resonant photoemission spectroscopy experiments on the Mo$_{1-x}$Re$_{x}$ alloy compositions spanning over two electronic topological transitions (ETT) at the critical concentrations $x_{C1}$ = 0.05 and $x_{C2}$ = 0.11. The photoelectrons show an additional resonance ($R3$) in the constant initial state (CIS) spectra of the alloys along with two resonances ($R1$ and $R2$) which are similar to those observed in molybdenum. All the resonances show Fano-like line shapes. The asymmetry parameter $q$ of the resonances $R1$ and $R3$ of the alloys is observed to be large and negative. Our analysis suggests that the origin of large negative q is associated with phonon assisted inter band scattering between the Mo-like states and the narrow band that appeared due to the ETT.
The binary Re$_{1-x}$Mo$_x$ alloys, known to cover the full range of solid solutions, were successfully synthesized and their crystal structures and physical properties investigated via powder x-ray diffraction, electrical resistivity, magnetic susceptibility, and heat capacity. By varying the Re/Mo ratio we explore the full Re$_{1-x}$Mo$_x$ binary phase diagram, in all its four different solid phases: hcp-Mg ($P6_3/mmc$), $alpha$-Mn ($Ioverline{4}3m$), $beta$-CrFe ($P4_2/mnm$), and bcc-W ($Imoverline{3}m$), of which the second is non-centrosymmetric with the rest being centrosymmetric. All Re$_{1-x}$Mo$_x$ alloys are superconductors, whose critical temperatures exhibit a peculiar phase diagram, characterized by three different superconducting regions. In most alloys the $T_c$ is almost an order of magnitude higher than in pure Re and Mo. Low-temperature electronic specific-heat data evidence a fully-gapped superconducting state, whose enhanced gap magnitude and specific-heat discontinuity suggest a moderately strong electron-phonon coupling across the series. Considering that several $alpha$-Mn-type Re$T$ alloys ($T$ = transition metal) show time-reversal symmetry breaking (TRSB) in the superconducting state, while TRS is preserved in the isostructural Mg$_{10}$Ir$_{19}$B$_{16}$ or Nb$_{0.5}$Os$_{0.5}$, the Re$_{1-x}$Mo$_x$ alloys represent another suitable system for studying the interplay of space-inversion, gauge, and time-reversal symmetries in future experiments expected to probe TRSB in the Re$T$ family.
Alloying enables engineering of the electronic structure of semiconductors for optoelectronic applications. Due to their similar lattice parameters, the two-dimensional semiconducting transition metal dichalcogenides of the MoWSeS group (MX2 where M= Mo or W and X=S or Se) can be grown as high-quality materials with low defect concentrations. Here we investigate the atomic and electronic structure of Mo(1-x)WxS2 alloys using a combination of high-resolution experimental techniques and simulations. Analysis of the Mo and W atomic positions in these alloys, grown by chemical vapour transport, shows that they are randomly distributed, consistent with Monte Carlo simulations that use interaction energies determined from first-principles calculations. Electronic structure parameters are directly determined from angle resolved photoemission spectroscopy measurements. These show that the spin-orbit splitting at the valence band edge increases linearly with W content from MoS2 to WS2, in agreement with linear-scaling density functional theory (LS-DFT) predictions. The spin-orbit splitting at the conduction band edge is predicted to reduce to zero at intermediate compositions. Despite this, polarisation-resolved photoluminescence spectra on monolayer Mo0.5W0.5S2 show significant circular dichroism, indicating that spin-valley locking is retained. These results demonstrate that alloying is an important tool for controlling the electronic structure of MX2 for spintronic and valleytronic applications.
We report a systematic first-principles study on the recent discovered superconducting Ba$_{1-x}$K$_x$Fe$_2$As$_2$ systems ($x$ = 0.00, 0.25, 0.50, 0.75, and 1.00). Previous theoretical studies strongly overestimated the magnetic moment on Fe of the parent compound BaFe$_2$As$_2$. Using a negative on-site energy $U$, we obtain a magnetic moment 0.83 $mu_B$ per Fe, which agrees well with the experimental value (0.87 $mu_B$). K doping tends to increase the density of states at fermi level. The magnetic instability is enhanced with light doping, and is then weaken by increasing the doping level. The energetics for the different K doping sites are also discussed.
Understanding superconductivity requires detailed knowledge of the normal electronic state from which it emerges. A nematic electronic state that breaks the rotational symmetry of the lattice can potentially promote unique scattering relevant for superconductivity. Here, we investigate the normal transport of superconducting FeSe$_{1-x}$S$_x$ across a nematic phase transition using high magnetic fields up to 69 T to establish the temperature and field-dependencies. We find that the nematic state is an anomalous non-Fermi liquid, dominated by a linear resistivity at low temperatures that can transform into a Fermi liquid, depending on the composition $x$ and the impurity level. Near the nematic end point, we find an extended temperature regime with $T^{1.5}$ resistivity. The transverse magnetoresistance inside the nematic phase has as a $H^{1.55}$ dependence over a large magnetic field range and it displays an unusual peak at low temperatures inside the nematic phase. Our study reveals anomalous transport inside the nematic phase, driven by the subtle interplay between the changes in the electronic structure of a multi-band system and the unusual scattering processes affected by large magnetic fields and disorder
The structure and electronic density of states in layered LnFeAsO$_{1-x}$F$_x$ (Ln=La,Sm; $x$=0.0, 0.125, 0.25) are investigated using density functional theory. For the $x$=0.0 system we predict a complex potential energy surface, formed by close-lying single-well and double-well potentials, which gives rise to the tetragonal-to-orthorhombic structural transition, appearance of the magnetic order, and an anomaly in the specific heat capacity observed experimentally at temperatures below $sim$140--160 K. We propose a mechanism for these transitions and suggest that these phenomena are generic to all compounds containing FeAs layers. For $x>$0.0 we demonstrate that transition temperatures to the superconducting state and their dependence on $x$ correlate well with the calculated magnitude of the electronic density of states at the Fermi energy.