Comment on "Origin of correlated isolated flat bands in copper-substituted lead phosphate apatite"

In this comment on "Origin of correlated isolated flat bands in copper-substituted lead phosphate apatite" (arXiv:2307.16892 [cond-mat.supr-con]), we discuss the flat half-occupied two-band manifold that appears in $\mathrm{Pb}_9\mathrm{Cu}(\mathrm{PO}_4)_6(\mathrm{OH})_2$ when using a semilocal DFT functional. We argue that the flat band is an artifact of the functional's overestimation of the energy of the oxygen p states in the valence band. When using the HSE hybrid functional, the energy of the oxygen p states is reduced, and the copper-derived manifold splits into one fully occupied and one empty band. While these results do not rule out the possibility of superconductivity in doped LK-99, they do predict that stoichiometric $\mathrm{Pb}_9\mathrm{Cu}(\mathrm{PO}_4)_6(\mathrm{OH})_2$ is an insulator, not a superconductor. Furthermore, we have shown that future first-principles studies of these materials should employ hybrid functionals or other advanced methods to ensure that the oxygen-derived valence-band energies are correctly described.Comment: 2 pages, 1 figur

Lone-Pair Stereochemistry Induces Ferroelectric Distortion and the Rashba Effect in Inorganic Halide Perovskites

The lone-pair s states of germanium, tin, and lead underlie many of the unconventional properties of the inorganic metal halide perovskites. Dynamic stereochemical expression of the lone pairs is well established for perovskites based on all three metals, but previously only the germanium perovskites were thought to express the lone pair crystallographically. In this work, we use advanced first-principles calculations with a hybrid functional and spin-orbit coupling to predict stable monoclinic polar phases of $\mathrm{CsSnI}_3$ and $\mathrm{CsSnBr}_3$, which exhibit a ferroelectric distortion driven by stereochemical expression of the tin lone pair. We also predict similar metastable ferroelectric phases of $\mathrm{CsPbI}_3$ and $\mathrm{CsPbBr}_3$. In addition to ferroelectricity, these phases exhibit the Rashba effect. Spin splitting in both the conduction and valence bands suggests that nanostructures based on these phases could host bright ground-state excitons. Finally, we discuss paths toward experimental realization of these phases via electric fields and tensile strain.Comment: 21 pages, 4 figure

Airborne laser topographic mapping results from initial joint NASA/US Army Corps of Engineers experiment

Initial results from a series of joint NASA/US Army Corps of Engineers experiments are presented. The NASA Airborne Oceanographic Lidar (AOL) was exercised over various terrain conditions, collecting both profile and scan data from which river basin cross sections are extracted. Comparisons of the laser data with both photogrammetry and ground surveys are made, with 12 to 27 cm agreement observed over open ground. Foliage penetration tests, utilizing the unique time-waveform sampling capability of the AOL, indicate 50 cm agreement with photogrammetry (known to have difficulty in foliage covered terrain)

Remotely Readable Fiber Optic Compass

PatentA remotely readable fiber optic compass. A sheet polarizer is affixed to a magnet rotatably mounted in a compass body, such that the polarizer rotates with the magnet. The optical axis of the sheet polarizer is preferably aligned with the north-south axis of the magnet. A single excitation light beam is divided into four identical beams, two of which are passed through the sheet polarizer and through two fixed polarizing sheets which have their optical axes at right angles to one another. The angle of the compass magnet with respect to a fixed axis of the compass body can be determined by measuring the ratio of the intensities of the two light beams. The remaining ambiguity as to which of the four possible quadrants the magnet is pointing to is resolved by the second pair of light beams, which are passed through the sheet polarizer at positions which are transected by two semicircular opaque strips formed on the sheet polarizer. The incoming excitation beam and the four return beams are communicated by means of optical fibers, giving a remotely readable compass which has no electrical parts

Glassy behaviour in an exactly solved spin system with a ferromagnetic transition

We show that applying simple dynamical rules to Baxter's eight-vertex model leads to a system which resembles a glass-forming liquid. There are analogies with liquid, supercooled liquid, glassy and crystalline states. The disordered phases exhibit strong dynamical heterogeneity at low temperatures, which may be described in terms of an emergent mobility field. Their dynamics are well-described by a simple model with trivial thermodynamics, but an emergent kinetic constraint. We show that the (second order) thermodynamic transition to the ordered phase may be interpreted in terms of confinement of the excitations in the mobility field. We also describe the aging of disordered states towards the ordered phase, in terms of simple rate equations.Comment: 11 page

Dual frequency scatterometer measurement of ocean wave height

A technique for remotely measuring wave height averaged over an area of the sea surface was developed and verified with a series of aircraft flight experiments. The measurement concept involves the cross correlation of the amplitude fluctuations of two monochromatic reflected signals with variable frequency separation. The signal reflected by the randomly distributed specular points on the surface is observed in the backscatter direction at nadir incidence angle. The measured correlation coefficient is equal to the square of the magnitude of the characteristic function of the specular point height from which RMS wave height can be determined. The flight scatterometer operates at 13.9 GHz and 13.9 - delta f GHz with a maximum delta f of 40 MHz. Measurements were conducted for low and moderate sea states at altitudes of 2, 5, and 10 thousand feet. The experimental results agree with the predicted decorrelation with frequency separation and with off-nadir incidence angle

Helodermatid Lizard From the Mio-Pliocene Oak-Hickory Forest of Tennessee, Eastern USA, and a Review of Monstersaurian Osteoderms

The extant venomous Gila monster and beaded lizards, species of Heloderma, live today in southwestern USA and south along the Pacific coastal region into Central America, but their fossil history is poorly understood. Here we report helodermatid osteoderms (dermal ossicles) from the late Miocene-early Pliocene Gray Fossil Site, eastern Tennessee USA. Twenty-three species of mammals are known from the fauna including abundant Tapirus polkensis, as well as fishes, anurans, salamanders, turtles, Alligator, birds, and snakes. Beaded lizards belong to the Monstersauria, a clade that includes Primaderma + Paraderma + Gobiderma + Helodermatidae (Estesia, Eurheloderma, Lowesaurus, and Heloderma). Osteoderms of lizards in this clade are unique within Squamata; they typically are circular to polygonal in outline, domed to flat-domed in cross-section, have a vermiculate surface texture, are not compound structures, and do not have imbricate surfaces as on many scincomorph and anguid lizards. We review and characterize the osteoderms of all members of Monstersauria. Osteoderms from the cranium, body, and limbs of Heloderma characteristically have a ring-extension (bony flange) at least partly surrounding the dome. Its presence appears to be a key character distinct to all species of Heloderma, consequently, we propose the presence of a ring-extension to be an apomorphy. Three osteoderms from the Gray Fossil Site range from 1.5 to 3.0 mm in diameter, have the circular shape of helodermatid osteoderms with a domed apical surface, and have the ring-extensions, permiting generic identification. Macrobotanical remains from the Gray Fossil Site indicate an oak-hickory subtropical forest dominated by Quercus (oak) and Carya (hickory) with some conifer species, an understorey including the climbing vines Sinomenium, Sargentodoxa, and Vitis. Plant and mammal remains indicate a strong Asian influence

Double-Rashba materials for nanocrystals with bright ground-state excitons

While nanoscale semiconductor crystallites provide versatile fluorescent materials for light-emitting devices, such nanocrystals suffer from the "dark exciton"\unicode{x2014}an optically inactive electronic state into which the nanocrystal relaxes before emitting. Recently, a theoretical mechanism was discovered that can potentially defeat the dark exciton. The Rashba effect can invert the order of the lowest-lying levels, creating a bright excitonic ground state. To identify materials that exhibit this behavior, here we perform an extensive high-throughput computational search of two large open-source materials databases. Based on a detailed understanding of the Rashba mechanism, we define proxy criteria and screen over 500,000 solids, generating 173 potential "bright-exciton" materials. We then refine this list with higher-level first-principles calculations to obtain 28 candidates. To confirm the potential of these compounds, we select five and develop detailed effective-mass models to determine the nature of their lowest-energy excitonic state. We find that four of the five solids (BiTeCl, BiTeI, Ga$_2$Te$_3$, and KIO$_3$) can yield bright ground-state excitons. Our approach thus reveals promising materials for future experimental investigation of bright-exciton nanocrystals.Comment: 19 pages, 4 figure

Onset of Patterns in an Ocillated Granular Layer: Continuum and Molecular Dynamics Simulations

We study the onset of patterns in vertically oscillated layers of frictionless dissipative particles. Using both numerical solutions of continuum equations to Navier-Stokes order and molecular dynamics (MD) simulations, we find that standing waves form stripe patterns above a critical acceleration of the cell. Changing the frequency of oscillation of the cell changes the wavelength of the resulting pattern; MD and continuum simulations both yield wavelengths in accord with previous experimental results. The value of the critical acceleration for ordered standing waves is approximately 10% higher in molecular dynamics simulations than in the continuum simulations, and the amplitude of the waves differs significantly between the models. The delay in the onset of order in molecular dynamics simulations and the amplitude of noise below this onset are consistent with the presence of fluctuations which are absent in the continuum theory. The strength of the noise obtained by fit to Swift-Hohenberg theory is orders of magnitude larger than the thermal noise in fluid convection experiments, and is comparable to the noise found in experiments with oscillated granular layers and in recent fluid experiments on fluids near the critical point. Good agreement is found between the mean field value of onset from the Swift-Hohenberg fit and the onset in continuum simulations. Patterns are compared in cells oscillated at two different frequencies in MD; the layer with larger wavelength patterns has less noise than the layer with smaller wavelength patterns.Comment: Published in Physical Review

Theoretical Analysis of the "Double-q" Magnetic Structure of CeAl2

A model involving competing short-range isotropic Heisenberg interactions is developed to explain the "double-q" magnetic structure of CeAl$_2$. For suitably chosen interactions, terms in the Landau expansion quadratic in the order parameters explain the condensation of incommensurate order at wavevectors in the star of (1/2 $-\delta$, 1/2 $+\delta$, 1/2)$(2\pi/a)$, where $a$ is the cubic lattice constant. We show that the fourth order terms in the Landau expansion lead to the formation of the so-called "double-q" magnetic structure in which long-range order develops simultaneously at two symmetry-related wavevectors, in striking agreement with the magnetic structure determinations. Based on the value of the ordering temperature and of the Curie-Weiss $\Theta$ of the susceptibility, we estimate that the nearest neighbor interaction $K_0$ is ferromagnetic, with $K_0/k=-11\pm 1$K and the next-nearest neighbor interaction $J$ is antiferromagnetic with $J/k=6 \pm 1$K. We also briefly comment on the analogous phenomenon seen in the similar system TmS.Comment: 22 pages, 6 figure