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At least 1,189 records · Page 66

Cohesion and excitations of diamond-structure silicon by quantum Monte Carlo: Benchmarks and control of systematic biases

We have carried out quantum Monte Carlo (QMC) calculations of silicon crystal focusing on the accuracy and systematic biases that affect the electronic structure characteristics. The results show that 64 and 216 atom supercells provide an excellent consistency for extrapolated energies per atom in the thermodynamic limit for ground, excited, and ionized states. We have calculated the ground state cohesion energy with both systematic and statistical errors below ≈ 0.05 eV. The ground state exhibits a fixed-node error of only 1.3(2)% of the correlation energy, suggesting an unusually high accuracy of the corresponding single-reference trial wave function. We obtain a very good agreement between optical and quasiparticle gaps that affirms the marginal impact of excitonic effects. Our most accurate results for band gaps differ from the experiments by about 0.2 eV. This difference is assigned to a combination of residual finite-size and fixed-node errors. In conclusion, we have estimated the crystal Fermi level referenced to vacuum that enabled us to calculate the edges of valence and conduction bands in agreement with experiments.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Generalized multipolaron expansion for the spin-boson model: Environmental entanglement and the biased two-state system

We develop a systematic variational coherent state expansion for the many-body ground state of the spin-boson model, in which a quantum two-level system is coupled to a continuum of harmonic oscillators. Energetic constraints at the heart of this technique are rationalized in terms of polarons (displacements of the bath states in agreement with classical expectations) and antipolarons (counter- displacements due to quantum tunneling effects). We present a comprehensive study of the ground state two-level system population and coherence as a function of tunneling amplitude, dissipation strength, and bias (akin to asymmetry of the double well potential defining the two-state system). The entanglement among the different environmental modes is investigated by looking at spectroscopic signatures of the bipartite entanglement entropy between a given environmental mode and all the other modes. We observe a drastic change in behavior of this entropy for increasing dissipation, indicative of the entangled nature of the environmental states. In addition, the entropy spreads over a large energy range at strong dissipation, a testimony to the wide entanglement window characterizing the underlying Kondo state. Lastly, comparisons to accurate numerical renormalization group calculations and to the exact Bethe Ansatz solution of the model demonstrate the rapid convergence of our variationally-optimized multi-polaron expansion, suggesting that it should also be a useful tool for dissipative models of greater complexity, as relevant for numerous systems of interest in quantum physics and chemistry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Symmetry-dependent electron-electron interaction in coherent tunnel junctions resolved by measurements of zero-bias anomaly

We provide experimental evidence that zero bias anomaly in the differential resistance of magnetic tunnel junctions (MTJs) is due to electron-electron interaction (EEI). Magnon effect is excluded by measuring at low temperatures down to 0.2 K and with reduced AC measurement voltages down to 0.06 mV. The normalized change of conductance is proportional to ln (eV /k B T ), consistent with the Altshuler-Aronov theory of tunneling with EEI but inconsistent with magnetic impurity scattering. The slope of the ln (eV /k B T ) dependence is symmetry dependent, i.e., MTJs with symmetry filtering show di erent slopes for P and AP states, while those without symmetry filtering (amorphous barriers) have nearly the same slopes for P and AP.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Scale-dependent galaxy bias, CMB lensing-galaxy cross-correlation, and neutrino masses

One of the most powerful cosmological datasets when it comes to constraining neutrino masses is represented by galaxy power spectrum measurements, P gg ($k$). The constraining power of P gg ($k$) is however severely limited by uncertainties in the modeling of the scale-dependent galaxy bias b($k$). In this work we present a new proof-of-principle for a method to constrain b($k$) by using the cross-correlation between the Cosmic Microwave Background (CMB) lensing signal and galaxy maps (C$Kg\atop{l}$) using a simple but theoretically well-motivated parametrization for b($k$). We apply the method using C$Kg\atop{l}$ measured by cross-correlating Planck lensing maps and the Baryon Oscillation Spectroscopic Survey (BOSS) Data Release 11 (DR11) CMASS galaxy sample, and P gg ($k$) measured from the BOSS DR12 CMASS sample. We detect a non-zero scale-dependence at moderate significance, which suggests that a proper modeling of b($k$) is necessary in order to reduce the impact of non-linearities and minimize the corresponding systematics. The accomplished increase in constraining power of P gg ($k$) is demonstrated by determining a 95% confidence level upper bound on the sum of the three active neutrino masses M $v$ of M $v$ < 0:19 eV. This limit represents a significant improvement over previous bounds with comparable datasets. Our method will prove especially powerful and important as future large-scale structure surveys will overlap more significantly with the CMB lensing kernel providing a large cross-correlation signal.

79 ASTRONOMY AND ASTROPHYSICS↗

Biased degenerate ground-state sampling of small Ising models with converged quantum approximate optimization algorithm

The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Deaging and Asymmetric Energy Landscapes in Electrically Biased Ferroelectrics

In ferroic materials, the dielectric, piezoelectric, magnetic, and elastic coefficients are significantly affected by the motion of domain walls. This motion can be described as the propagation of a wall across various types and strengths of pinning centers that collectively constitute a force profile or energetic landscape. Biased domain structures and asymmetric energy landscapes can be created through application of high fields (such as during electrical poling), and the material behavior in such states is often highly asymmetric. In some cases, this behavior can be considered as the electric analogue to the Bauschinger effect. The present Letter uses time-resolved, high-energy x-ray Bragg scattering to probe this asymmetry and the associated deaging effect in the ferroelectric morphotropic phase boundary composition 0.36BiScO{sub 3}-0.64PbTiO{sub 3}.

Tutuncu, Goknur↗

Primordial Non-Gaussianities and Zero-Bias Tracers of the Large-Scale Structure

In this study, we develop a new method to constrain primordial non-Gaussianities of the local kind using unclustered tracers of the large scale structure. We show that, in the limit of low noise, zero bias tracers yield large improvement over standard methods, mostly due to vanishing sampling variance. We propose a simple technique to construct such a tracer, using environmental information obtained from the original sample and validate our method with $N$-body simulations. Our results indicate that σ $f$$loc\atop{NL}$ ≃ 1 can be reached using only information on a single tracer of sufficiently high number density.

79 ASTRONOMY AND ASTROPHYSICS↗

Giant Zero Bias Anomaly due to Coherent Scattering from Frozen Phonon Disorder in Quantum Point Contacts

Here demonstrate an unusual manifestation of coherent scattering for electron waves in mesoscopic quantum point contacts, in which fast electron dynamics allows the phonon system to serve as a quasistatic source of disorder. The low-temperature conductance of these devices exhibits a giant ($\gg2e^2/h$) zero bias anomaly (ZBA), the features of which are reproduced in a nonequilibrium model for coherent scattering from the “frozen” phonon disorder. According to this model, the ZBA is understood to result from the in situ electrical manipulation of the phonon disorder, a mechanism that could open up a pathway to the on-demand control of coherent scattering in the solid state.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A 32-Channel Cryo-CMOS ASIC for SNSPD Biasing and Readout with Picosecond

Superconducting nanowire single-photon detectors (SNSPD) are a promising technology for particle detection. Although SNSPDs have demonstrated picosecond timing accuracy, scaling up large arrays has proved challenging. In this work, we introduce a 32-channel cryo-CMOS application-specific integrated circuit (ASIC) that can be tightly integrated with SNSPD arrays. The ASIC is designed to operate at a temperature of 4K and can perform up to 32 simultaneous timing measurements with a root-mean-square (RMS) accuracy of 8.0ps. The ASIC includes on-chip circuitry for externally biasing superconducting devices, low-noise amplifiers for reading superconducting devices, high-resolution time-to-digital converters (TDC) for time-tagging events, and serializers for transmitting data to room-temperature electronics. The ASIC is manufactured in a 22nm FDSOI process and occupies an area of 4.0mm x 1.0mm. The performance of the ASIC was verified using custom cryogenic device models internally developed for the 22nm SOI process. Measurement results will be presented at the conference.

Fredenburg, Jeff↗

Effects of Negative-Bias-Temperature-Instability on Low-Frequency Noise in SiGe ${p}$ MOSFETs

In this paper, we have measured the low-frequency 1/f noise of Si 0.55 Ge 0.45 pMOSFETs with a Si capping layer and SiO 2 /HfO 2 /TiN gate stack as a function of frequency, gate voltage, and temperature (100-440 K). The magnitude of the excess drain voltage noise power spectral density (Svd) is unaffected by negative-bias-temperature stress (NBTS) for temperatures below ~250 K, but increases significantly at higher temperatures. The noise is described well by the Dutta-Horn model before and after NBTS. The noise at higher measuring temperatures is attributed primarily to oxygen-vacancy and hydrogen-related defects in the SiO 2 and HfO 2 layers. Finally, at lower measuring temperatures, the noise also appears to be affected strongly by hydrogen-dopant interactions in the SiGe layer of the device.

1/f noise↗

A Self-Biasing Pulsed Depressed Collector

Depressed collectors have been utilized successfully for many years to improve the electrical efficiency of vacuum electron devices. Increasingly, pulsed, high-peak power accelerator applications are placing a premium on electrical efficiency. As RF systems are responsible for a large percentage of the overall energy usage at accelerator laboratories, methods to improve upon the state-of-the-art in pulsed high-power sources are desired. This paper presents a technique for self-biasing the stages in a multistage depressed collector. With this technique, the energy lost during the rise and fall times of the pulse can be recovered, separate power supplies are not needed, and existing modulators can be retrofitted. Calculations show that significant cost savings can be realized with the implementation of this device in high-power systems. In this paper, the technique is described along with experimental demonstration. (auth)

43 PARTICLE ACCELERATORS↗

Influence of the Thickness of the Ferro- and Antiferromagnetic Phases on Magnetic Properties in Epitaxial Heterostructures Based on Exchange Biased La-Ca-Mn-O System

Metal oxides show fascinating physical properties such as ferromagnetism, antiferromagnetism, high temperature superconductivity, ferroelectricity, or even multiferroicity. For many possible electronic applications as well as fundamental studies, it is essential to fabricate epitaxial layered films and multilayers of these materials having complex lattice structures with sharp interfaces, preserving epitaxiallity through the whole structure. We have grown these kind of oxide heterostructures on single crystal (001) oriented SrTiO3 substrates by using an in-situ DC sputtering technique at high oxygen pressures. Specifically, we report the study of magnetic and transport properties in ferromagnetic/antiferromagnetic, F/AF, heterostructures based on the Ca-doped lanthanum manganite system. We artificially grew La2/3Ca1/3MnO3/La1/3Ca2/3MnO3 heterostructures, maintaining constant the total thickness of the sample and systematically varying the thicknesses of the antiferromagnetic layer (tAF) and ferromagnetic layer (tF). Magnetization measurements indicate a dependence of Curie temperature, exchange bias field, and magnetoresistance behavior with the tAF/tF ratio.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effects of Applied Bias and High Field Stress on the Radiation Response of GaN/AlGaN HEMTs

The sensitivity of GaN/AlGaN HEMTs to 1.8 MeV proton irradiation is greatly enhanced by biasing the devices during irradiation and/or applying high field stress before irradiation. The resulting defect energy distributions are evaluated after irradiation and/or high field stress via low-frequency noise measurements. Significant increases are observed in acceptor densities for defects with ~ 0.2 and ~ 0.7 eV energy levels. These defects appear to dominate the degradation in threshold voltage and transconductance for these devices. Density functional theory (DFT) calculations show that N vacancy-related defects in GaN and hydrogenated O N complexes in AlGaN are strong candidates for the defects with ~ 0.2 eV energy levels in these devices. Finally, we also present evidence that the previously unidentified ~ 0.7 eV defect in GaN is a N anti-site defect (N Ga).

1/f noise↗

Spatial biases of information influence global estimates of soil respiration: how can we improve global predictions?

Soil respiration (Rs), the efflux of CO2 from soils to the atmosphere, is a major component of the terrestrial carbon cycle, but is poorly constrained from regional to global scales. The global soil respiration database (SRDB) is a compilation of in-situ Rs observations from around the globe that has been consistently updated with new measurements over the past decade. It is unclear whether the addition of data to new versions of the SRDB has produced better-constrained global Rs estimates. We compared two versions of the SRDB (v3.0 n=5173 and v5.0 n=10366) to determine how additional data influenced the global sum and uncertainty of Rs as predicted by a quantile regression forest model. A model parameterized using SRDBv3 yielded a global Rs sum of 88.6 Pg C yr-1, and associated uncertainty of 29.9 (mean absolute error) and 57.9 (standard deviation) Pg C yr-1, whereas parameterization using SRDBv5 yielded 96.5 Pg C yr-1 and associated uncertainty of 30.2 (mean average error) and 73.4 (standard deviation) Pg C yr-1. Empirically estimated global heterotrophic respiration (Rh) from v3 and v5 were 49.9-50.2 (mean 50.1) and 53.3-53.5 (mean 53.4) Pg C yr-1, respectively. Interestingly, SRDBv5’s inclusion of new data from underrepresented regions (e.g., Asia, Africa, South America) thus resulted in overall higher model uncertainty. The SRDBv5 is still biased towards northern latitudes and temperate zones, so we tested that an optimized global distribution of Rs measurements resulted in a global sum of 96.4 ± 21.4 Pg C yr-1 and lower model uncertainty. These results support current global estimates of Rs but highlight spatial inconsistencies that influence model parameterization and interpretation that should be addressed to improve regional- to global-scale predictions.

Stell, Emma↗

Separability of Mesh Bias and Parametric Uncertainty for a Full System Thermal Analysis

When making computational simulation predictions of multiphysics engineering systems, sources of uncertainty in the prediction need to be acknowledged and included in the analysis within the current paradigm of striving for simulation credibility. A thermal analysis of an aerospace geometry was performed at Sandia National Laboratories. Here, for this analysis, a verification, validation, and uncertainty quantification (VVUQ) workflow provided structure for the analysis, resulting in the quantification of significant uncertainty sources including spatial numerical error and material property parametric uncertainty. It was hypothesized that the parametric uncertainty and numerical errors were independent and separable for this application. This hypothesis was supported by performing uncertainty quantification (UQ) simulations at multiple mesh resolutions, while being limited by resources to minimize the number of medium and high resolution simulations. In conclusion, based on this supported hypothesis, a prediction including parametric uncertainty and a systematic mesh bias is used to make a margin assessment that avoids unnecessary uncertainty obscuring the results and optimizes use of computing resources.

42 ENGINEERING↗

Effects of magnetic flux density and substrate bias voltage on Ni films prepared on a flexible substrate material using unbalanced magnetron sputtering assisted by inductively coupled plasma

The authors fabricated Ni films on a flexible substrate material using unbalanced magnetron sputtering assisted by inductively coupled plasma. The effects of magnetic flux density B{sub C} and substrate DC bias voltage V{sub S} on the Ni film structures were investigated. For V{sub S} = −40 V, the average surface grain size D{sub G} measured by atomic force microscopy for B{sub C} = 0, 3, and 5 mT was 88.2, 95.4, and 104.4 nm, respectively. In addition, D{sub G} increased with V{sub S}. From x-ray diffraction measurements, the (111) and (200) peaks were clearly visible for the fabricated Ni films. The ratio of the integrated intensities of I(111)/I(200) increased with V{sub S}. For V{sub S} = −40 V and B{sub C} = 3 mT, a film resistivity ρ of 8.96 × 10{sup −6} Ω cm was observed, which is close to the Ni bulk value of 6.84 × 10{sup −6} Ω cm. From these results, the authors determined that the structure of the fabricated Ni films on the flexible substrate material was affected by the values of B{sub C} and V{sub S}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Structure and interfacial analysis of nanoscale TiNi thin film prepared by biased target ion beam deposition

Ultrathin, 65 nm thick, TiNi alloy films were fabricated by cosputtering Ti and Ni targets using the recently developed biased target ion beam deposition technique. Preheating the substrate by exposure to a low energy ion source resulted in as-deposited films with a pure B2 atomic crystal structure containing no secondary crystal structures or precipitates. Continuous films were produced with a smooth surface and minimal substrate/film interfacial diffusion. The diffusion layer was a small ratio of film thickness, which is a prerequisite for the B2 phase to undergo the martensitic transformation in ultrathin films.

42 ENGINEERING↗

Bias-pulsed atomic layer etching of 4H-silicon carbide producing subangstrom surface roughness

A new approach to atomic layer etching (ALE) has been demonstrated, and its application to 4H-SiC is reported here. By pulsing only the DC bias for an Ar/Cl2 inductively coupled plasma-reactive ion etching system, the etch cycle duration is reduced by more than an order of magnitude relative to conventional ALE processes. Gas flows are not changed throughout the ALE process. With this process protocol, we achieved an etch rate of 2.48±0.09 Å/cycle with 6 s cycles, an RMS surface roughness (Rq) of 0.83±0.08 Å, and an ALE synergy value of S = 99%. The parameters explored within this ALE process demonstrate effective subangstrom smoothening of 4H-SiC surfaces and is well-suited for a variety of classical and quantum device nanofabrication.

42 ENGINEERING↗