From soft harmonic phonons to fast relaxational dynamics in CH3_{3}NH3_{3}PbBr3_{3}

The lead-halide perovskites, including CH$_{3}$NH$_{3}$PbBr$_{3}$, are components in cost effective, highly efficient photovoltaics, where the interactions of the molecular cations with the inorganic framework are suggested to influence the electronic and ferroelectric properties. CH$_{3}$NH$_{3}$PbBr$_{3}$ undergoes a series of structural transitions associated with orientational order of the CH$_{3}$NH$_{3}$ (MA) molecular cation and tilting of the PbBr$_{3}$ host framework. We apply high-resolution neutron scattering to study the soft harmonic phonons associated with these transitions, and find a strong coupling between the PbBr$_{3}$ framework and the quasistatic CH$_{3}$NH$_{3}$ dynamics at low energy transfers. At higher energy transfers, we observe a PbBr$_{6}$ octahedra soft mode driving a transition at 150 K from bound molecular excitations at low temperatures to relatively fast relaxational excitations that extend up to $\sim$ 50-100 meV. We suggest that these temporally overdamped dynamics enables possible indirect band gap processes in these materials that are related to the enhanced photovoltaic properties.Comment: (main text - 5 pages, 4 figures; supplementary information - 3 pages, 3 figures

From incommensurate correlations to mesoscopic spin resonance in YbRh2Si2

Spin fluctuations are reported near the magnetic field driven quantum critical point in YbRh2Si2. On cooling, ferromagnetic fluctuations evolve into incommensurate correlations located at q0=+/- (delta,delta) with delta=0.14 +/- 0.04 r.l.u. At low temperatures, an in plane magnetic field induces a sharp intra doublet resonant excitation at an energy E0=g muB mu0 H with g=3.8 +/- 0.2. The intensity is localized at the zone center indicating precession of spin density extending xi=6 +/- 2 A beyond the 4f site.Comment: (main text - 4 pages, 4 figures; supplementary information - 3 pages, 3 figures; to be published in Physical Review Letters

On infimum Dickey–Fuller unit root tests allowing for a trend break under the null

Trend breaks appear to be prevalent in macroeconomic time series. Consequently, to avoid the catastrophic impact that unmodelled trend breaks have on power, it is standard empirical practice to employ unit root tests which allow for such effects. A popularly applied approach is the infimum ADF-type test. Its appeal has endured with practitioners despite results which show that the infimum ADF statistic diverges to −∞−∞ as the sample size diverges, with the consequence that the test has an asymptotic size of unity when a break in trend is present under the unit root null hypothesis. The result for additive outlier-type breaks in trend (but not intercept) is refined and shows that divergence to −∞−∞ occurs only when the true break fraction is smaller than 2/32/3. An alternative testing strategy based on the maximum of the original infimum statistic and the corresponding statistic constructed using the time-reversed sample data is considered

Bismuth trichloride as a molecular precursor for silicon doping

Dopant impurity species can be incorporated into the silicon (001) surface via the adsorption and dissociation of simple precursor molecules. Examples include phosphine (PH3), arsine (AsH3), and diborane (B2H6) for the incorporation of phosphorus, arsenic, and boron, respectively. Through exploitation of precursor surface chemistry, the spatial locations of these incorporated dopants can be controlled at the atomic scale via the patterning of a hydrogen lithographic resist layer using scanning tunneling microscopy (STM). There is strong interest in the spatial control of bismuth atoms incorporated into silicon for quantum technological applications; however, there is currently no known precursor for the incorporation of bismuth that is compatible with this STM-based lithographic method. Here, we explore the precursor chemistry (adsorption, diffusion, and dissociation) of bismuth trichloride (BiCl3) on Si(001). We show atomic-resolution STM images of BiCl3 exposed Si(001) surfaces at low coverage and combine this with density functional theory calculations to produce a model of the surface processes and the observed features. Our results show that, at room temperature, BiCl3 completely dissociates to produce bismuth ad-atoms, ad-dimers, and surface-bound chlorine, and we explain how BiCl3 is a strong candidate for a bismuth precursor compound compatible with lithographic patterning at the sub-nanometer scale

Weak spin interactions in Mott insulating La2O2Fe2OSe2

Identifying and characterizing the parent phases of iron-based superconductors is an important step towards understanding the mechanism for their high-temperature superconductivity. We present an investigation into the magnetic interactions in the Mott insulator La2O2Fe2OSe2. This iron oxyselenide adopts a 2-k magnetic structure with low levels of magnetic frustration. This magnetic ground state is found to be dominated by next-nearest-neighbor interactions J2 and J2′ and the magnetocrystalline anisotropy of the Fe2+ site, leading to 2D-Ising-like spin S=2 fluctuations. In contrast to calculations, the values are small and confine the spin excitations below ∼25 meV. This is further corroborated by sum rules of neutron scattering. This indicates that superconductivity in related materials may derive from a weakly coupled and unfrustrated magnetic structure

Spatially resolved dielectric loss at the Si/SiO2_2 interface

The Si/SiO$_2$ interface is populated by isolated trap states which modify its electronic properties. These traps are of critical interest for the development of semiconductor-based quantum sensors and computers, as well as nanoelectronic devices. Here, we study the electric susceptibility of the Si/SiO$_2$ interface with nm spatial resolution using frequency-modulated atomic force microscopy to measure a patterned dopant delta-layer buried 2 nm beneath the silicon native oxide interface. We show that surface charge organization timescales, which range from 1-150 ns, increase significantly around interfacial states. We conclude that dielectric loss under time-varying gate biases at MHz and sub-MHz frequencies in metal-insulator-semiconductor capacitor device architectures is highly spatially heterogeneous over nm length scales

The quantum metrology triangle and the re-definition of the SI ampere and kilogram; Analysis of a reduced set of observational equations

We have developed a set of seven observational equations that include all of the physics necessary to relate the most important of the fundamental constants to the definitions of the SI kilogram and ampere. We have used these to determine the influence of alternative definitions being considered for the SI kilogram and ampere on the uncertainty of three of the fundamental constants (h, e and mu). We have also reviewed the experimental evidence for the exactness of the quantum metrology triangle resulting from experiments combining the quantum Hall effect, the Josephson effects and single-electron tunnelling.Comment: 16 pages, 3 figures & 5 table

Room Temperature Incorporation of Arsenic Atoms into the Germanium (001) Surface

Germanium has emerged as an exceptionally promising material for spintronics and quantum information applications, with significant fundamental advantages over silicon. However, efforts to create atomic-scale devices using donor atoms as qubits have largely focused on phosphorus in silicon. Positioning phosphorus in silicon with atomic-scale precision requires a thermal incorporation anneal, but the low success rate for this step has been shown to be a fundamental limitation prohibiting the scale-up to large-scale devices. Here, we present a comprehensive study of arsine (AsH3) on the germanium (001) surface. We show that, unlike any previously studied dopant precursor on silicon or germanium, arsenic atoms fully incorporate into substitutional surface lattice sites at room temperature. Our results pave the way for the next generation of atomic-scale donor devices combining the superior electronic properties of germanium with the enhanced properties of arsine/germanium chemistry that promises scale-up to large numbers of deterministically placed qubits