Spontaneous Octahedral Tilting in the Cubic Inorganic Caesium Halide Perovskites CsSnX3_3 and CsPbX3_3 (X = F, Cl, Br, I)

The local crystal structures of many perovskite-structured materials deviate from the average space group symmetry. We demonstrate, from lattice-dynamics calculations based on quantum chemical force constants, that all the caesium-lead and caesium-tin halide perovskites exhibit vibrational instabilities associated with octahedral titling in their high-temperature cubic phase. Anharmonic double-well potentials are found for zone-boundary phonon modes in all compounds with barriers ranging from 108 to 512 meV. The well depth is correlated with the tolerance factor and the chemistry of the composition, but is not proportional to the imaginary harmonic phonon frequency. We provide quantitative insights into the thermodynamic driving forces and distinguish between dynamic and static disorder based on the potential-energy landscape. A positive band gap deformation (spectral blueshift) accompanies the structural distortion, with implications for understanding the performance of these materials in applications areas including solar cells and light-emitting diodes

Non-Gaussian Covariance of the Matter Power Spectrum in the Effective Field Theory of Large Scale Structure

We compute the non-Gaussian contribution to the covariance of the matter power spectrum at one-loop order in Standard Perturbation Theory (SPT), and using the framework of the effective field theory (EFT) of large scale structure (LSS). The complete one-loop contributions are evaluated for the first time, including the leading EFT corrections that involve seven independent operators, of which four appear in the power spectrum and bispectrum. We compare the non-Gaussian part of the one-loop covariance computed with both SPT and EFT of LSS to two separate simulations. In one simulation, we find that the one-loop prediction from SPT reproduces the simulation well to $k_i + k_j \sim$ 0.25 h/Mpc, while in the other simulation we find a substantial improvement of EFT of LSS (with one free parameter) over SPT, more than doubling the range of $k$ where the theory accurately reproduces the simulation. The disagreement between these two simulations points to unaccounted for systematics, highlighting the need for improved numerical and analytic understanding of the covariance.Comment: v2 - 10+9 pages, 6 figures; minor changes + data analysis and conclusions updated. Version accepted for publication in PR

Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite

Lead halide perovskites such as methylammonium lead triiodide (MAPI) have outstanding optical and electronic properties for photovoltaic applications, yet a full understanding of how this solution processable material works so well is currently missing. Previous research has revealed that MAPI possesses multiple forms of static disorder regardless of preparation method, which is surprising in light of its excellent performance. Using high energy resolution inelastic X-ray (HERIX) scattering, we measure phonon dispersions in MAPI and find direct evidence for another form of disorder in single crystals: large amplitude anharmonic zone-edge rotational instabilities of the PbI_6 octahedra that persist to room temperature and above, left over from structural phase transitions that take place tens to hundreds of degrees below. Phonon calculations show that the orientations of the methylammonium couple strongly and cooperatively to these modes. The result is a non-centrosymmetric, instantaneous local structure, which we observe in atomic pair distribution function (PDF) measurements. This local symmetry breaking is unobservable by Bragg diffraction, but can explain key material properties such as the structural phase sequence, ultra low thermal transport, and large minority charge carrier lifetimes despite moderate carrier mobility.Comment: 30 pages, 11 figure

Broadcasting Flu Messages – Citywide Transmission and Community Reception: An Evaluation of Ready New York’s pandemic influenza outreach campaign

Public health risk communication is a central feature of New York City’s pandemic flu preparedness plan. Particularly in the early stages of a pandemic, before effective therapeutic measures are available, non-pharmaceutical interventions such as social distancing, personal protective hygiene, and voluntary isolation are critical strategies for suppressing the spread of a novel viral strain. New York City health and emergency management officials have decided to use the city’s risk communication structure – the Office of Emergency Management’s Ready New York outreach and dissemination capacities – as one of the primary means to communicate pandemic flu health messages. In October 2008, NCDP contracted with Public Health Solutions and the Office of Emergency Management (OEM) to evaluate the reach and effectiveness of its planned Ready NY Pandemic Flu community outreach campaign

Running Electroweak Couplings as a Probe of New Physics

The energy dependence of the electroweak gauge couplings has not been measured above the weak scale. We propose that percent-level measurements of the energy dependence of $\alpha_{1,2}$ can be performed now at the LHC and at future higher energy hadron colliders. These measurements can be used to set limits on new particles with electroweak quantum numbers without relying on any assumptions about their decay properties. The shape of the high invariant mass spectrum of Drell-Yan, $p p \rightarrow Z^*/\gamma^* \rightarrow \ell^+ \ell^-$, constrains $\alpha_{1,2}(Q)$, and the shape of the high transverse mass distribution of $p p \rightarrow W^* \rightarrow \ell \nu$ constrains $\alpha_{2}(Q)$. We use existing data to perform the first fits to $\alpha_{1,2}$ above the weak scale. Percent-level measurements are possible because of high precision in theoretical predictions and existing experimental measurements. We show that the LHC already has the reach to improve upon electroweak precision tests for new particles that dominantly couple through their electroweak charges. The 14 TeV LHC is sensitive to the predicted Standard Model (SM) running of $\alpha_2$, and can show that $\alpha_2$ decreases with energy at $2-3 \sigma$ significance. A future 100 TeV proton-proton collider will have significant reach to measure running weak couplings, with sensitivity to the SM running of $\alpha_2$ at $4-5 \sigma$ and sensitivity to winos with masses up to $\sim$ 1.3 TeV at $2\sigma$.Comment: 34 pages + appendices; v2: references and minor changes to text added, version to appear in JHE

Lattice dynamics and vibrational spectra of the orthorhombic, tetragonal and cubic phases of methylammonium lead iodide

The hybrid halide perovskite CH3NH3PbI3 exhibits a complex structural behaviour, with successive transitions between orthorhombic, tetragonal and cubic polymorphs at ca. 165 K and 327 K. Herein we report first-principles lattice dynamics (phonon spectrum) for each phase of CH3NH3PbI3. The equilibrium structures compare well to solutions of temperature-dependent powder neutron diffraction. By following the normal modes we calculate infrared and Raman intensities of the vibrations, and compare them to the measurement of a single crystal where the Raman laser is controlled to avoid degradation of the sample. Despite a clear separation in energy between low frequency modes associated with the inorganic PbI3 network and high-frequency modes of the organic CH3NH3+ cation, significant coupling between them is found, which emphasises the interplay between molecular orientation and the corner-sharing octahedral networks in the structural transformations. Soft modes are found at the boundary of the Brillouin zone of the cubic phase, consistent with displacive instabilities and anharmonicity involving tilting of the PbI6 octahedra around room temperature.Comment: 9 pages, 4 figure