Lifting of Ir{100} reconstruction by CO adsorption: An ab initio study

The adsorption of CO on unreconstructed and reconstructed Ir{100} has been studied, using a combination of density functional theory and thermodynamics, to determine the relative stability of the two phases as a function of CO coverage, temperature and pressure. We obtain good agreement with experimentaldata. At zero temperature, the (1X5) reconstruction becomes less stable than the unreconstructed (1X1) surface when the CO coverage exceeds a critical value of 0.09 ML. The interaction between CO molecules is found to be repulsive on the reconstructed surface, but attractive on the unreconstructed, explaining the experimental observation of high CO coverage on growing (1X1) islands. At all temperatures and pressures, we find only two possible stable states: 0.05 ML CO c(2X2) overlayer on the (1X1) substrate, and the clean (1$\times$5) reconstructed surface.Comment: 31 page

Improving wafer-scale Josephson junction resistance variation in superconducting quantum coherent circuits

Quantum bits, or qubits, are an example of coherent circuits envisioned for next-generation computers and detectors. A robust superconducting qubit with a coherent lifetime of $O$(100 $\mu$s) is the transmon: a Josephson junction functioning as a non-linear inductor shunted with a capacitor to form an anharmonic oscillator. In a complex device with many such transmons, precise control over each qubit frequency is often required, and thus variations of the junction area and tunnel barrier thickness must be sufficiently minimized to achieve optimal performance while avoiding spectral overlap between neighboring circuits. Simply transplanting our recipe optimized for single, stand-alone devices to wafer-scale (producing 64, 1x1 cm dies from a 150 mm wafer) initially resulted in global drifts in room-temperature tunneling resistance of $\pm$ 30%. Inferring a critical current $I_{\rm c}$ variation from this resistance distribution, we present an optimized process developed from a systematic 38 wafer study that results in $<$ 3.5% relative standard deviation (RSD) in critical current ($\equiv \sigma_{I_{\rm c}}/\left\langle I_{\rm c} \right\rangle$) for 3000 Josephson junctions (both single-junctions and asymmetric SQUIDs) across an area of 49 cm$^2$. Looking within a 1x1 cm moving window across the substrate gives an estimate of the variation characteristic of a given qubit chip. Our best process, utilizing ultrasonically assisted development, uniform ashing, and dynamic oxidation has shown $\sigma_{I_{\rm c}}/\left\langle I_{\rm c} \right\rangle$ = 1.8% within 1x1 cm, on average, with a few 1x1 cm areas having $\sigma_{I_{\rm c}}/\left\langle I_{\rm c} \right\rangle$ $<$ 1.0% (equivalent to $\sigma_{f}/\left\langle f \right\rangle$ $<$ 0.5%). Such stability would drastically improve the yield of multi-junction chips with strict critical current requirements.Comment: 10 pages, 4 figures. Revision includes supplementary materia

BaFe2As2 Surface Domains and Domain Walls: Mirroring the Bulk Spin Structure

High-resolution scanning tunneling microscopy (STM) measurements on BaFe2As2-one of the parent compounds of the iron-based superconductors-reveals a (1x1) As-terminated unit cell on the (001) surface. However, there are significant differences of the surface unit cell compared to the bulk: only one of the two As atoms in the unit cell is imaged and domain walls between different (1x1) regions display a C2 symmetry at the surface. It should have been C2v if the STM image reflected the geometric structure of the surface or the orthorhombic bulk. The inequivalent As atoms and the bias dependence of the domain walls indicate that the origin of the STM image is primarily electronic not geometric. We argue that the surface electronic topography mirrors the bulk spin structure of BaFe2As2, via strong orbital-spin coupling

Effect of Improving the Lattice Gauge Action on QCD Topology

We use lattice topology as a laboratory to compare the Wilson action (WA) with the Symanzik-Weisz (SW) action constructed from a combination of (1x1) and (1x2) Wilson loops, and the estimate of the renormalization trajectory (RT) from a renormalization group transformation (RGT) which also includes higher representations of the (1x1) loop. Topological charges are computed using the geometric (L\"uscher's) and plaquette methods on the uncooled lattice, and also by using cooling to remove ultraviolet artifacts. We show that as the action improves by approaching the RT, the topological charges for individual configurations computed using these three methods become more highly correlated, suggesting that artificial lattice renormalizations to the topological susceptibility can be suppressed by improving the action.Comment: 4 pages, 4 figures, poster presented at LATTICE96(improvement

MnAs dots grown on GaN(0001)-(1x1) surface

MnAs has been grown by means of MBE on the GaN(0001)-(1x1) surface. Two options of initiating the crystal growth were applied: (a) a regular MBE procedure (manganese and arsenic were delivered simultaneously) and (b) subsequent deposition of manganese and arsenic layers. It was shown that spontaneous formation of MnAs dots with the surface density of 1$\cdot 10^{11}$ cm$^{-2}$ and $2.5\cdot 10^{11}$ cm$^{-2}$, respectively (as observed by AFM), occurred for the layer thickness higher than 5 ML. Electronic structure of the MnAs/GaN systems was studied by resonant photoemission spectroscopy. That led to determination of the Mn 3d - related contribution to the total density of states (DOS) distribution of MnAs. It has been proven that the electronic structures of the MnAs dots grown by the two procedures differ markedly. One corresponds to metallic, ferromagnetic NiAs-type MnAs, the other is similar to that reported for half-metallic zinc-blende MnAs. Both system behave superparamagnetically (as revealed by magnetization measurements), but with both the blocking temperatures and the intra-dot Curie temperatures substantially different. The intra-dot Curie temperature is about 260 K for the former system while markedly higher than room temperature for the latter one. Relations between growth process, electronic structure and other properties of the studied systems are discussed. Possible mechanisms of half-metallic MnAs formation on GaN are considered.Comment: 20+ pages, 8 figure