ShantanuT01/DACTYL-Pretraining huggingface dataset:
The band offsets between crystalline and hydrogenated amorphous silicon (a-Si:H) are key parameters governing the charge transport in modern silicon hetrojunction solar cells. They are an important input for macroscopic simulators that are used to further optimize the solar cell. Past experimental studies, using X-ray photoelectron spectroscopy (XPS) and capacitance-voltage measurements, have yielded conflicting results on the band offset. Here we present a computational study on the band offsets. It is based on atomistic models and density-functional theory (DFT). The amorphous part of the interface is obtained by relatively long DFT first-principles molecular-dynamics (MD) runs at an elevated temperature on 30 statistically independent samples. In order to obtain a realistic conduction band position the electronic structure of the interface is calculated with a hybrid functional. We find a slight asymmetry in the band offsets, where the offset in the valence band (0.30 eV) is larger than in the conduction band (0.17 eV). Our results are in agreement with the latest XPS measurements that report a valence band offset of 0.3 eV [M. Liebhaber et al., Appl. Phys. Lett. 106, 031601 (2015)].
We present the results of a Chandra X-ray survey of the 8 most massive galaxy clusters at z>1.2 in the South Pole Telescope 2500 deg^2 survey. We combine this sample with previously-published Chandra observations of 49 massive X-ray-selected clusters at 0<z<0.1 and 90 SZ-selected clusters at 0.25<z<1.2 to constrain the evolution of the intracluster medium (ICM) over the past ~10 Gyr. We find that the bulk of the ICM has evolved self similarly over the full redshift range probed here, with the ICM density at r>0.2R500 scaling like E(z)^2. In the centers of clusters (r<0.1R500), we find significant deviations from self similarity (n_e ~ E(z)^{0.1+/-0.5}), consistent with no redshift dependence. When we isolate clusters with over-dense cores (i.e., cool cores), we find that the average over-density profile has not evolved with redshift -- that is, cool cores have not changed in size, density, or total mass over the past ~9-10 Gyr. We show that the evolving "cuspiness" of clusters in the X-ray, reported by several previous studies, can be understood in the context of a cool core with fixed properties embedded in a self similarly-evolving cluster. We find no measurable evolution in the X-ray morphology of massive clusters, seemingly in tension with the rapidly-rising (with redshift) rate of major mergers predicted by cosmological simulations. We show that these two results can be brought into agreement if we assume that the relaxation time after a merger is proportional to the crossing time, since the latter is proportional to H(z)^(-1).
We study longitudinal magnetotransport in disorder-free cylindrical Weyl semimetal nanowires. Our theory includes a magnetic flux $\Phi$ piercing the nanowire and captures the finite curvature of the Fermi arc in the surface Brillouin zone through a boundary angle $\alpha$. Electron backscattering by acoustic phonons via the deformation potential causes a finite resistivity which we evaluate by means of the semiclassical Boltzmann approach. We find that low-energy transport is dominated by surface states, where transport observables are highly sensitive to the angle $\alpha$ and to Aharonov-Bohm phases due to $\Phi$. A generic subband dispersion relation allows for either one or two pairs of Fermi points. In the latter case, intra-node backscattering is possible and implies a parametrically larger resistivity than for a single Fermi point pair. As a consequence, large and abrupt resistivity changes take place across the transition points separating parameter regions with a different number of Fermi point pairs in a given subband.
A crucial and problematical feature of quantum mechanics (QM) is nonobjectivity of properties. The ESR model restores objectivity reinterpreting quantum probabilities as conditional on detection and embodying the mathematical formalism of QM into a broader noncontextual (hence local) framework. We propose here an improved presentation of the ESR model containing a more complete mathematical representation of the basic entities of the model. We also extend the model to mixtures showing that the mathematical representations of proper mixtures does not coincide with the mathematical representation of mixtures provided by QM, while the representation of improper mixtures does. This feature of the ESR model entails that some interpretative problems raising in QM when dealing with mixtures are avoided. From an empirical point of view the predictions of the ESR model depend on some parameters which may be such that they are very close to the predictions of QM in most cases. But the nonstandard representation of proper mixtures allows us to propose the scheme of an experiment that could check whether the predictions of QM or the predictions of the ESR model are correct.
Multinucleon transfer processes in heavy-ion reactions at energies slightly above the Coulomb barrier are investigated in a fully microscopic framework of the time-dependent Hartree-Fock (TDHF) theory. Transfer probabilities are calculated from the TDHF wave function after collision using the projection operator method which has recently been proposed by Simenel (C. Simenel, Phys. Rev. Lett. 105, 192701 (2010)). We show results of the TDHF calculations for transfer cross sections of the reactions of $^{40,48}$Ca+$^{124}$Sn at $E_{lab}=$ 170, 174 MeV, $^{40}$Ca+$^{208}$Pb at $E_{lab}=$ 235, 249 MeV, and $^{58}$Ni+$^{208}$Pb at $E_{lab}=$ 328.4 MeV, for which measurements are available. We find the transfer processes show different behaviors depending on the $N/Z$ ratios of the projectile and the target, and the product of the charge numbers, $Z_P Z_T$. When the projectile and the target have different $N/Z$ ratios, fast transfer processes of a few nucleons towards the charge equilibrium of the initial system occur in reactions at large impact parameters. As the impact parameter decreases, a neck formation is responsible for the transfer. A number of nucleons are transferred by the neck breaking when two nuclei dissociate, leading to transfers of protons and neutrons in the same direction. Comparing cross sections by theory and measurements, we find the TDHF theory describes the transfer cross sections of a few nucleons reasonably. As the number of transferred nucleons increases, the agreement becomes less accurate. The TDHF calculation overestimates transfer cross sections accompanying a large number of neutrons when more than one proton are transferred. Comparing our results with those by other theories, we find the TDHF calculations give qualitatively similar results to those of direct reaction models such as GRAZING and Complex WKB.
A key challenge for current and upcoming CMB lensing measurements is their sensitivity to biases from extragalactic foregrounds, such as Sunyaev-Zeldovich (SZ) signals or cosmic infrared background emission. Several methods have been developed to mitigate these lensing foreground biases, dividing broadly into multi-frequency cleaning approaches and modifications to the estimator geometry, but how to optimally combine these methods has not yet been explored in detail. In this paper, we examine which combination of lensing foreground mitigation strategies is best able to reduce the impact of foreground contamination for a Simons-Observatory-like experiment while preserving maximal signal-to-noise. Although the optimal combination obtained depends on whether bias- or variance-reduction are prioritized and on whether polarization data is used, generally, we find that combinations involving both geometric (profile hardening, source hardening or shear) and multifrequency (symmetric cleaning) methods perform best. For lensing power spectrum measurements from temperature (polarization and temperature), our combined estimator methods are able to reduce the bias to the lensing amplitude below $\sigma/4$ or 0.3% (0.1%), a factor of 16 (30) lower than the standard QE bias, at a modest signal-to-noise cost of only 18% (12%). In contrast, single-method foreground-mitigation approaches struggle to reduce the bias to a negligible level below $\sigma/2$ without incurring a large noise penalty. For upcoming and current experiments, our combined methods therefore represent a promising approach for making lensing measurements with negligible foreground bias.
The study of quantum Coulomb systems at equilibrium is important for understanding properties of matter in many physical situations. Screening, recombination and van der Waals forces are basic phenomena which result from the interplay of Coulomb interactions, collective effects and quantum mechanics. Those phenomena are introduced in the first part of this lecture, through various physical examples. Their treatment within mean-field theories and phenomenological approaches is also exposed, while related predictions are discussed. This sheds light on fundamental issues, which must be analyzed without any \textsl{a priori} approximations or modelizations. The second part of this lecture is precisely devoted to the presentation of various exact results for the quantum proton-electron hydrogen plasma. Such results are derived within the Screened Cluster Representation, which is constructed by combining the path integral representation of the Coulomb gas with Mayer-like diagrammatical techniques. They illustrate the breakdown of Debye exponential screening by quantum fluctuations, as well as the emergence of familiar chemical species in suitable low-temperature and low-density limits. Also, the amplitude of van der Waals forces is shown to be reduced by free charges.
We present the methodology for and detail the implementation of the Dark Energy Survey (DES) 3x2pt DES Year 1 (Y1) analysis, which combines configuration-space two-point statistics from three different cosmological probes: cosmic shear, galaxy-galaxy lensing, and galaxy clustering, using data from the first year of DES observations. We have developed two independent modeling pipelines and describe the code validation process. We derive expressions for analytical real-space multi-probe covariances, and describe their validation with numerical simulations. We stress-test the inference pipelines in simulated likelihood analyses that vary 6-7 cosmology parameters plus 20 nuisance parameters and precisely resemble the analysis to be presented in the DES 3x2pt analysis paper, using a variety of simulated input data vectors with varying assumptions.   We find that any disagreement between pipelines leads to changes in assigned likelihood $\Delta \chi^2 \le 0.045$ with respect to the statistical error of the DES Y1 data vector. We also find that angular binning and survey mask do not impact our analytic covariance at a significant level. We determine lower bounds on scales used for analysis of galaxy clustering (8 Mpc$~h^{-1}$) and galaxy-galaxy lensing (12 Mpc$~h^{-1}$) such that the impact of modeling uncertainties in the non-linear regime is well below statistical errors, and show that our analysis choices are robust against a variety of systematics. These tests demonstrate that we have a robust analysis pipeline that yields unbiased cosmological parameter inferences for the flagship 3x2pt DES Y1 analysis. We emphasize that the level of independent code development and subsequent code comparison as demonstrated in this paper is necessary to produce credible constraints from increasingly complex multi-probe analyses of current data.
The quasi-one-dimensional spin ladder compounds, BaFe$_2$S$_3$ and BaFe$_2$Se$_3$, are investigated by infrared spectroscopy and density functional theory (DFT) calculations. We observe strong anisotropic electronic properties and an optical gap in the leg direction that is gradually filled above the antiferromagnetic (afm) ordering temperature, turning the systems into a metallic phase. Combining the optical data with the DFT calculations we associate the optical gap feature with the $p$-$d$ transition that appears only in the afm ordered state. Hence, the insulating ground state along the leg direction is attributed to Slater physics rather than Mott-type correlations.
The perennial formalism is applied to the real, massive Klein-Gordon field on a globally-hyperbolic background space-time with compact Cauchy hypersurfaces. The parametrized form of this system is taken over from the accompanying paper. Two different algebras ${\cal S}_{\text{can}}$ and ${\cal S}_{\text{loc}}$ of elementary perennials are constructed. The elements of ${\cal S}_{\text{can}}$ correspond to the usual creation and annihilation operators for particle modes of the quantum field theory, whereas those of ${\cal S}_{\text{loc}}$ are the smeared fields. Both are shown to have the structure of a Heisenberg algebra, and the corresponding Heisenberg groups are described. Time evolution is constructed using transversal surfaces and time shifts in the phase space. Important roles are played by the transversal surfaces associated with embeddings of the Cauchy hypersurface in the space-time, and by the time shifts that are generated by space-time isometries. The automorphisms of the algebras generated by this particular type of time shift are calculated explicitly.
The electronic and magnetic properties of monoclinic double perovskite Sr$_2$CeIrO$_6$ were examined based on both experiments and first-principles density functional theory calculations. From the calculations we conclude that low-spin-state Ir$^{4+}$ (5$\textit{d}^5$, S=$\frac{1}{2}$) shows t$_{2g}$ band derived anti-ferro type orbital ordering implying alternating occupations of $\textit{d}_{yz}$ and $\textit{d}_{xz}$ orbitals at the two symmetrically independent Ir sites. The experimentally determined Jahn-Teller type distorted monoclinic structure is consistent with the proposed orbital ordering picture. Surprisingly, the Ir-5$\textit{d}$ orbital magnetic moment was found to be $\approx$ 1.3 times larger than the spin magnetic moment. The experimentally observed AFM-insulating states are consistent with the calculations. Both electron-electron correlation and spin-orbit coupling (SOC) are required to drive the experimentally observed AFM-insulating ground state. This single active site double perovskite provides a rare platform with a prototype geometrically frustrated fcc lattice where among the different degrees of freedom (i.e spin, orbital, and lattice), spin-orbit interaction and Coulomb correlation energy scales compete and interact with each other.
We study the joint degree counts in proportional attachment random graphs and find a simple representation for the limit distribution in infinite sequence space. We show weak convergence with respect to the p-norm topology for appropriate p and also provide optimal rates of convergence of the finite dimensional distributions. The results hold for models with any general initial seed graph and any fixed number of initial outgoing edges per vertex; we generate non-tree graphs using both a lumping and a sequential rule. Convergence of the order statistics and optimal rates of convergence to the maximum of the degrees is also established.
Based on the nonrelativistic QCD factorization approach, ${\mathcal O}(\alpha_s v^2)$ corrections to $\jpsi$ plus $\eta_c$ production in $e^+e^-$ annihilation at $\sqrt{s}=10.6 \gev$ is calculated in this work. The numerical results show that the correction at $\alpha_s v^2$ order is only about a few percent for the total theoretical result. It indicates that the perturbative expansions for the theoretical prediction become convergence and higher order correction will be smaller. The uncertainties from the long-distance matrix elements, renormalization scale and the measurement in experiment are also discussed. Our result is in agreement with previous result in ref [1].
The antiferromagnetic Heisenberg spin systems on the three-leg ladder are investigated. Periodic boundary condition is imposed in the rung direction. The system has an excitation gap for all antiferromagnetic inter-chain coupling ($J_{\perp}>0$). The estimated gap for the strong coupling limit ($J_{\perp}/J_1 \to \infty$) is 0.28$J_1$. Although the interaction is homogeneous and only nearest-neighbor, the ground states of the system are dimerized and break the translational symmetry in the thermodynamic limit. Introducing the next-nearest neighbor coupling ($J_2$), we can see that the system is solved exactly. The ground state wave function is completely dimer-ordered. Using density matrix renomalization group algorithm, we show numerically that the original model ($J_2=0$) has the same nature with the exactly solvable model. The ground state properties of the ladder with a higher odd number of legs are also discussed.
Early-type galaxies possess a dilute hot (2-10E6 K) gas that is probably the thermalized ejecta of the mass loss from evolving stars. We investigate the processes by which the mass loss from orbiting stars interacts with the stationary hot gas for the case of the mass ejected in a planetary nebula event. Numerical hydrodynamic simulations show that at first, the ejecta expands nearly symmetrically, with an upstream bow shock in the hot ambient gas. At later times, the flow past the ejecta creates fluid instabilities that cause about half of the ejecta to separate and the other half to flow more slowly downstream in a narrow wake. When radiative cooling is included, most of the material in the wake (>80%) remains below 1E5 K while the separated ejecta is hotter (1E5-1E6 K). The separated ejecta is still less than one-quarter the temperature of the ambient medium and the only way it will reach the temperature of the ambient medium is through turbulent mixing (after the material has left the grid). These calculations suggest that a significant fraction of the planetary nebula ejecta may not become part of the hot ambient material. This is in contrast to our previous calculations for continuous mass loss from giant stars in which most of the mass loss became hot gas. We speculate that detectable OVI emission may be produced, but more sophisticated calculations will be required to determine the emission spectrum and to better define the fraction of cooled material.
Frustrated magnets can host numerous exotic many-body quantum and topological phenomena. GeNi$_2$O$_4$ is a three dimensional $S=1$ frustrated magnet with an unusual two-stage transition to the two-dimensional antiferromagnetic ground state, while GeCu$_2$O$_4$ is a high-pressure phase with a strongly tetragonally elongated spinel structure and magnetic lattice formed by $S=1/2$ CuO$_2$ linear chains with frustrated exchange interactions and exotic magnetic behavior. Here we report on the first thin-film epitaxial stabilization of these two compounds. Developed growth mode, surface morphology, crystal structure and copper valence state were characterized by in-situ reflection high-energy electron diffraction, atomic force microscopy, X-ray reflectivity, X-ray diffraction, X-ray photoelectron spectroscopy and resonant X-ray absorption spectroscopy. Our results pave an alternative route to the comprehensive investigation of the puzzling magnetic properties of these compounds and exploration of novel emergent features driven by strain.
We consider the power of various quantum complexity classes with the restriction that states and operators are defined over a real, rather than complex, Hilbert space. It is well know that a quantum circuit over the complex numbers can be transformed into a quantum circuit over the real numbers with the addition of a single qubit. This implies that BQP retains its power when restricted to using states and operations over the reals. We show that the same is true for QMA(k), QIP(k), QMIP, and QSZK.
We study quantum population transfer via a common intermediate state initially in thermal equilibrium with a finite temperature $T$, exhibiting a multi-level Stimulated Raman adiabatic passage structure. We consider two situations for the common intermediate state, namely a discrete two-level spin and a bosonic continuum. In both cases we show that the finite temperature strongly affects the efficiency of the population transfer. We also show in the discrete case that strong coupling with the intermediate state, or a longer duration of the controlled pulse would suppress the effect of finite temperature. In the continuous case, we adapt the thermofield-based chain-mapping matrix product states algorithm to study the time evolution of the system plus the continuum under time-dependent controlled pulses, which shows a great potential to be used to solve open quantum system problems in quantum optics.
Let $n$ be any positive integer and let $F_n$ be the friendship (or Dutch windmill) graph with $2n+1$ vertices and $3n$ edges. Here we study graphs with the same adjacency spectrum as the $F_n$. Two graphs are called cospectral if the eigenvalues multiset of their adjacency matrices are the same. Let $G$ be a graph cospectral with $F_n$. Here we prove that if $G$ has no cycle of length 4 or 5, then $G\cong F_n$. Moreover if $G$ is connected and planar then $G\cong F_n$. All but one of connected components of $G$ are isomorphic to $K_2$. The complement $\bar{F_n}$ of the friendship graph is determined by its adjacency eigenvalues, that is, if $\bar{F_n}$ is cospectral with a graph $H$, then $H\cong \bar{F_n}$.
We analyze the dynamics of a quantum mechanical system in interaction with a reservoir when the initial state is not factorized. In the weak-coupling (van Hove) limit, the dynamics can be properly described in terms of a master equation, but a consistent application of Nakajima-Zwanzig's projection method requires that the reference (not necessarily equilibrium) state of the reservoir be endowed with the mixing property.
By means of neutron scattering measurements, we have investigated spin-wave excitation in a collinear four-sublattice (4SL) magnetic ground state of a triangular lattice antiferromagnet CuFeO2, which has been of recent interest as a strongly frustrated magnet, a spin-lattice coupled system and a multiferroic. To avoid mixing of spin-wave spectrum from magnetic domains having three different orientations reflecting trigonal symmetry of the crystal structure, we have applied uniaxial pressure on [1-10] direction of a single crystal CuFeO2. By elastic neutron scattering measurements, we have found that only 10 MPa of the uniaxial pressure results in almost 'single domain' state in the 4SL phase. We have thus performed inelastic neutron scattering measurements using the single domain sample, and have identified two distinct spin- wave branches. The dispersion relation of the upper spin-wave branch cannot be explained by the previous theoretical model [R. S. Fishman: J. Appl. Phys. 103 (2008) 07B109]. This implies the importance of the lattice degree of freedom in the spin-wave excitation in this system, because the previous calculation neglected the effect of the spin-driven lattice distortion in the 4SL phase. We have also discussed relationship between the present results and the recently discovered "electromagnon" excitation.