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At least 1,351 records · Page 75

Benchmark eA generator for leptoproduction in high-energy lepton-nucleus collisions

The upcoming electron-ion collider (EIC) will address several outstanding puzzles in modern nuclear physics. Topics such as the partonic structure of nucleons and nuclei, the origin of their mass and spin, among others, can be understood via the study of high-energy electron-proton (ep) and electron-nucleus (eA) collisions. Achieving the scientific goals of the EIC will require a novel electron-hadron collider and detectors capable to perform high-precision measurements but also dedicated tools to model and interpret the data. To aid in the latter, we present a general-purpose e A Monte Carlo generator—BeAGLE. In this paper, we provide a general description of the models integrated into BeAGLE, applications of BeAGLE in eA physics, implications for detector requirements at the EIC, and the tuning of the parameters in BeAGLE based on available experimental data. Specifically, we focus on a selection of model and data comparisons in particle production in both ep and eA collisions, where baseline particle distributions provide essential information to characterize the event. In addition, we investigate the collision geometry determination in eA collisions, which could be used as an experimental tool for varying the nuclear density.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Crossover between weak antilocalization and weak localization in few-layer W Te 2 : Role of electron-electron interactions

We report electron transport studies in an encapsulated few-layer WTe 2 at low temperatures and high magnetic fields. The magnetoconductance reveals a temperature-induced crossover between weak antilocalization and weak localization in the quantum diffusive regime. Here we show that the crossover clearly manifests coexistence and competition among several characteristic lengths, including the dephasing length, the spin-flip length, and the mean free path. In addition, low-temperature conductance increases logarithmically with the increase of temperature indicating an interplay of electron-electron interaction (EEI) and spin-orbit coupling (SOC). We demonstrate the existence and quantify the strengths of EEI and SOC which are considered to be responsible for gap opening in the quantum spin Hall state in WTe 2 at the monolayer limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Equilibrium spin polarization arising from chirality

Chirality-induced spin selectivity (CISS) describes how chiral molecules and materials generate spin polarization even at thermal equilibrium. This observation has challenged established principles of microscopic reversibility and Onsager reciprocity. We resolve this paradox by formulating a pseudo-Hermitian quantum framework that separates thermodynamic equilibrium from time-reversal symmetry. Within this approach, structural chirality and electron correlations, irrespective of their microscopic origin, are sufficient to produce CISS observables. Chirality enters through a non-local metric η that couples spin and spatial motion, leading to real spectra, unitary evolution, and thermodynamic consistency. The framework predicts a chirality-induced spin magnetic ordering characterized by a spin-displacement order, which reconciles equilibrium spin polarization with detailed balance and explains the persistence of CISS in materials composed of light elements. We derive generalized Onsager-Casimir relations that respect the observed CISS symmetry, i.e., parity $(\mathscr{P})$-odd and time-reversal $(\mathscr{T})$-odd, but exhibiting $\mathscr{PT}$-even symmetry. This approach establishes a coherent foundation for equilibrium CISS and provides a route to link chemical chirality with measurable spin-to-charge conversion effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Challenges for density functional theory in simulating metal–metal singlet bonding: A case study of dimerized VO2

VO2 is renowned for its electric transition from an insulating monoclinic (M1) phase, characterized by V–V dimerized structures, to a metallic rutile (R) phase above 340 K. This transition is accompanied by a magnetic change: the M1 phase exhibits a non-magnetic spin-singlet state, while the R phase exhibits a state with local magnetic moments. Simultaneous simulation of the structural, electric, and magnetic properties of this compound is of fundamental importance, but the M1 phase alone has posed a significant challenge to the density functional theory (DFT). In this study, we show none of the commonly used DFT functionals, including those combined with on-site Hubbard U to treat 3d electrons better, can accurately predict the V–V dimer length. The spin-restricted method tends to overestimate the strength of the V–V bonds, resulting in a small V–V bond length. Conversely, the spin-symmetry-breaking method exhibits the opposite trends. Each of these two bond-calculation methods underscores one of the two contentious mechanisms, i.e., Peierls lattice distortion or Mott localization due to electron–electron repulsion, involved in the metal–insulator transition in VO2. To elucidate the challenges encountered in DFT, we also employ an effective Hamiltonian that integrates one-dimensional magnetic sites, thereby revealing the inherent difficulties linked with the DFT computations.

Chemistry↗

Nuclear-level effective theory of 𝜇→𝑒 conversion: Formalism and applications

Over the next decade new 𝜇→𝑒 conversion searches at Fermilab (Mu2e) and J-PARC (COMET, DeeMe) are expected to advance limits on charged lepton flavor violation (CLFV) by more than four orders of magnitude. Here, by considering the consequence of 𝑃 and 𝐶⁢𝑃 on elastic 𝜇→𝑒 conversion and the structure of possible charge and current densities, we show that rates are governed by six nuclear responses and a single scale, 𝑞/𝑚 𝑁 , where 𝑞 ≈ 𝑚 𝜇 is the momentum transferred from the leptons to the nucleus. To relate this result to microscopic formulations of CLFV, we construct in nonrelativistic effective theory (NRET) the CLFV nucleon-level interaction, pointing out the relevance of the dimensionless scales 𝑦=($^{𝑞⁢𝑏}_2$) 2 ⁢ > |$\overrightarrow{𝑣}_N$⁢|>|$\overrightarrow{𝑣}_μ$⁢|>|$\overrightarrow{𝑣}_T$| , where 𝑏 is the nuclear size, $\overrightarrow{𝑣}_N$ and $\overrightarrow{𝑣}_μ$ are the nucleon and muon intrinsic velocities, and $\overrightarrow{𝑣}_T$ is the target recoil velocity. We discuss previous work, noting the lack of a systematic treatment of the various small parameters. Because the parameter 𝑦 is not small, a proper calculation of 𝜇→𝑒 conversion requires a full multipole expansion of the nuclear response functions, an apparently daunting task with Coulomb-distorted electron partial waves. We demonstrate that the multipole expansion can be carried out to high precision by introducing a simplifying local momentum 𝑞 eff for the electron. Previous work has been limited to simple charge or spin interactions, thereby treating the nucleus effectively as a point particle. We show that such formulations are not compatible with the general form of the 𝜇→𝑒 conversion rate, failing to generate three of the six allowed nuclear response functions. The inclusion of the nucleon velocity $\overrightarrow{𝑣}_N$ yields an NRET with 16 operators and a rate of the general form. Consequently, in the current discovery era for CLFV, it provides the most sensible starting point for experimental analysis, defining what can and cannot be determined about CLFV from the highly exclusive process of 𝜇→𝑒 conversion. Finally, we expand the NRET operator basis to account for the effects of $\overrightarrow{𝑣}_μ$, associated with the muon's lower component, generating corrections to the CLFV coefficients of the point-nucleus response functions. Using advanced shell-model methods, we compute 𝜇→𝑒 conversion rates for a series of experimental targets, deriving bounds on the coefficients of the CLFV operators. These calculations are the first to include a general basis of CLFV operators, full evaluation of the associated nuclear response functions, and an accurate treatment of electron and muon Coulomb effects. We discuss target selection as an experimental “knob” that can be turned to probe the microscopic origins of CLFV. We describe two types of coherence that enhance certain CLFV operators and selection rules that blind elastic 𝜇→𝑒 conversion to others. We discuss the matching of the NRET onto higher level effective field theories, such as those constructed at the light quark level, noting opportunities to build on existing work in direct detection of dark matter. We discuss the relation of 𝜇→𝑒 conversion to 𝜇→𝑒+𝛾 and 𝜇→3⁢𝑒, showing how MEG II and Mu3e results will complement those of Mu2e and COMET. Finally we describe a accompanying script—in Mathematica and Python versions—that can be used to compute 𝜇→𝑒 conversion rates in various nuclear targets for the full set of NRET operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Polarized Photocathodes development for the EIC: Optimizing Spin and Quantum Efficiency

GaAs/GaAsP superlattice photocathodes play a critical role for producing highly polarized electron beams for the Electron-Ion Collider (EIC) at Brookhaven National Laboratory. The electron pre-injector for the EIC requires electron bunches with high bunch charge (1-2 nC) and high polarization, from GaAs-based superlattice photocathode. Herein, we have systematically investigated a range of GaAs/GaAsP superlattice photocathodes fabricated via molecular beam epitaxy (MBE) and metal-organic chemical vapor deposition (MOCVD). Through optimization of pre-cleaning procedures and surface doping conditions, we aim to identify the most promising photocathode configurations for future EIC operations. To enhance the quantum efficiency (QE), a Distributed Bragg Reflector structure is frequently incorporated beneath the superlattice. While this approach effectively increases QE, it also introduces additional complexities that can adversely influence spin polarization and the spectral response at specific laser wavelengths. This note provides an overview of superlattice GaAs development and outlines the EIC team’s ongoing efforts to address related challenges and advance high-performance photocathode development tailored for the EIC. Over five years of multi-institutional collaboration and measurements of about 50 SL-GaAs samples, our analysis presents statistics on samples exhibiting high ESP and high QE. It will help to set the initial ESP requirements for the EIC project.

43 PARTICLE ACCELERATORS↗

Selected magnetoelectrical phonon stiffening in Cr 2 ⁢O 3

A thorough understanding of lattice dynamics, particularly how they couple with spin through spin-phonon interactions, is crucial for pioneering new spin-caloritronic applications. Here, despite extensive studies on Cr 2 ⁢O 3 , the origin of nonlinear thermal expansions and the unusual stiffening of optical phonon modes is still elusive. Through inelastic neutron scattering and atomistic calculations, we found that these behaviors can be attributed to the renormalization of electron states owing to the magnetic transition, and we ruled out the effects from thermal expansion, phonon anharmonicity, magnetostriction, or electron-phonon interactions. Importantly, our quantitative modeling suggests that the common belief that dynamic spin-phonon interactions are the origin of anomalous phonon energy stiffening in magnetic compounds does not apply in Cr 2 ⁢O 3 .

DFT+U↗

Light-induced Kondo-like exciton-spin interaction in neodymium(II) doped hybrid perovskite

Abstract Tuning the properties of a pair of entangled electron and hole in a light-induced exciton is a fundamentally intriguing inquiry for quantum science. Here, using semiconducting hybrid perovskite as an exploratory platform, we discover that Nd 2+ -doped CH 3 NH 3 PbI 3 (MAPbI 3 ) perovskite exhibits a Kondo-like exciton-spin interaction under cryogenic and photoexcitation conditions. The feedback to such interaction between excitons in perovskite and the localized spins in Nd 2+ is observed as notably prolonged carrier lifetimes measured by time-resolved photoluminescence, ~10 times to that of pristine MAPbI 3 without Nd 2+ dopant. From a mechanistic standpoint, such extended charge separation states are the consequence of the trap state enabled by the antiferromagnetic exchange interaction between the light-induced exciton and the localized 4 f spins of the Nd 2+ in the proximity. Importantly, this Kondo-like exciton-spin interaction can be modulated by either increasing Nd 2+ doping concentration that enhances the coupling between the exciton and Nd 2+ 4 f spins as evidenced by elongated carrier lifetime, or by using an external magnetic field that can nullify the spin-dependent exchange interaction therein due to the unified orientations of Nd 2+ spin angular momentum, thereby leading to exciton recombination at the dynamics comparable to pristine MAPbI 3 .

36 MATERIALS SCIENCE↗

Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides

Since the successful synthesis of bulk single crystals MoN 2 and ReN 2 , which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN 2 . We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN 2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. Additionally, when rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (±1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices.

2-dimensional systems↗

Photon energy-resolved velocity map imaging from spectral domain ghost imaging

Abstract We present an approach that combines photon spectrum correlation analysis with the reconstruction of three-dimensional momentum distribution from velocity map images in an efficient, single-step procedure. We demonstrate its efficacy with the results from the photoionization of the 2 p -shell of argon using the Free-electron LASer in Hamburg free-electron laser (FEL). Distinct spectral features due to the spin-orbit splitting of Ar + ( 2 p − 1 ) are resolved, despite the large average bandwidth of the ionizing pulses from the FEL. This demonstrates a clear advantage over the conventional analysis method, and it will be broadly beneficial for velocity map imaging experiments with FEL sources. The retrieved linewidth of the binding energy spectrum approaches the resolution limitation prescribed by the spectrometers used to collect the data. Our approach presents a path to extend spectral-domain ghost imaging to the case where the photoproduct observable is high-dimensional.

47 OTHER INSTRUMENTATION↗

Spin-orbital liquids and insulator-metal transitions on the pyrochlore lattice

The two orbital Hubbard model, with the electrons additionally coupled to a complex magnetic background, arises in the pyrochlore molybdates. The background involves local moments Hund's coupled to the electrons, driving double exchange ferromagnetism, and antiferromagnetic (AF) tendency arising from competing superexchange. The key scales include the Hubbard repulsion and the superexchange, both of which can be tuned in these materials. They control the phase transition from a ferromagnetic metal to a spin glass metal and then to a spin glass (Mott) insulator. We provide a comprehensive description of the ground state of this model using an unrestricted Hartree-Fock scheme implemented via a simulated annealing procedure and establish the metal-insulator transition line for varying Hubbard interaction and superexchange. The electrons see an effective disorder, due to orbital frustration, already in the ferromagnetic phase. The disorder is further enhanced by antiferromagnetic coupling and the resulting magnetic disorder. As a result, increasing AF coupling shifts the metal-insulator transition to lower Hubbard interaction and gives it an additional "Anderson" character. In conclusion, we provide detailed results on the magnetic and orbital correlations, the density of states, and the optical conductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Giant g-factors and fully spin-polarized states in metamorphic short-period InAsSb/InSb superlattices

Abstract Realizing a large Landé g -factor of electrons in solid-state materials has long been thought of as a rewarding task as it can trigger abundant immediate applications in spintronics and quantum computing. Here, by using metamorphic InAsSb/InSb superlattices (SLs), we demonstrate an unprecedented high value of g ≈ 104, twice larger than that in bulk InSb, and fully spin-polarized states at low magnetic fields. In addition, we show that the g -factor can be tuned on demand from 20 to 110 via varying the SL period. The key ingredients of such a wide tunability are the wavefunction mixing and overlap between the electron and hole states, which have drawn little attention in prior studies. Our work not only establishes metamorphic InAsSb/InSb as a promising and competitive material platform for future quantum devices but also provides a new route toward g -factor engineering in semiconductor structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Scalar Breit interaction for molecular calculations

Variational treatment of the Dirac–Coulomb–Gaunt or Dirac–Coulomb–Breit two-electron interaction at the Dirac–Hartree–Fock level is the starting point of high-accuracy four-component calculations of atomic and molecular systems. In this work, we introduce, for the first time, the scalar Hamiltonians derived from the Dirac–Coulomb–Gaunt and Dirac–Coulomb–Breit operators based on spin separation in the Pauli quaternion basis. While the widely used spin-free Dirac–Coulomb Hamiltonian includes only the direct Coulomb and exchange terms that resemble nonrelativistic two-electron interactions, the scalar Gaunt operator adds a scalar spin–spin term. The spin separation of the gauge operator gives rise to an additional scalar orbit-orbit interaction in the scalar Breit Hamiltonian. Benchmark calculations of Au n (n = 2–8) show that the scalar Dirac–Coulomb–Breit Hamiltonian can capture 99.99% of the total energy with only 10% of the computational cost when real-valued arithmetic is used, compared to the full Dirac–Coulomb–Breit Hamiltonian. In conclusion, the scalar relativistic formulation developed in this work lays the theoretical foundation for the development of high-accuracy, low-cost correlated variational relativistic many-body theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polarized electron injector for positron production at CEBAF

As a part of the effort to expand the capabilities of CE-BAF 12 GeV (Continuous Electron Beam Accelerator Facility) at Jefferson Lab, the addition of a polarized positron source is considered. This capability would provide acceleration of high duty-cycle polarized posi-trons, with spin >60% polarization, through the same main CEBAF accelerator machine with appropriate mag-net field reversals and linac phasing to the four CEBAF experimental halls. To produce this positron beam, a high average current (3-10 mA) highly polarized electron beam with energy of 100 ? 150 MeV is required at the positron source target. The focus of this paper is the de-sign of that polarized electron beam injector. We will describe the production and delivery of a >3 mA highly polarized electron beam. We will discuss different aspects of the design, the photocathode gun, beam dynamics simulation results, spin manipulation, bunching and accelerating process and final electron beam parameters.

Kazimi, R.↗

Computational analysis of interface-driven spin-orbit coupling in molecular adsorbates on transition metal dichalcogenides

Spin-orbit coupling (SOC) lifts molecular orbital degeneracy, enabling bilevel electronic platforms suitable for next-generation digital devices. However, common light-atom molecular feedstocks exhibit weak SOC due to the absence of heavy elements. To enhance SOC without synthesizing new materials, we leverage interfacial interactions between molecules and transition-element-based solid-state materials. This computational study investigates SOC splitting in metal-phthalocyanine adsorbed on transition metal dichalcogenides (TMDs) using density functional theory (DFT). The enhanced SOC splitting is attributed to strong orbital hybridization at the molecule-substrate interface. Specifically, Zn-phthalocyanine (ZnPC) on monolayer Mo⁢S 2 achieves a notable SOC splitting of ∼8 meV. Furthermore, when ZnPC forms self-assembled chains on Mo⁢S 2 , the splitting increases to ∼20 meV, driven by the formation of hybrid bands modulated by molecular periodicity. Furthermore, these findings highlight the role of interfacial and intermolecular interactions in inducing and enhancing SOC in surface-adsorbed molecules, providing a new strategy for molecular spintronic materials without complex synthetic efforts.

2-dimensional systems↗

Si/SiGe QuBus for single electron information-processing devices with memory and micron-scale connectivity function

The connectivity within single carrier information-processing devices requires transport and storage of single charge quanta. Single electrons have been adiabatically transported while confined to a moving quantum dot in short, all-electrical Si/SiGe shuttle device, called quantum bus (QuBus). Here we show a QuBus spanning a length of 10 μm and operated by only six simply-tunable voltage pulses. We introduce a characterization method, called shuttle-tomography, to benchmark the potential imperfections and local shuttle-fidelity of the QuBus. The fidelity of the single-electron shuttle across the full device and back (a total distance of 19 μm) is (99.7 ± 0.3) %. Using the QuBus, we position and detect up to 34 electrons and initialize a register of 34 quantum dots with arbitrarily chosen patterns of zero and single-electrons. The simple operation signals, compatibility with industry fabrication and low spin-environment-interaction in 28 Si/SiGe, promises long-range spin-conserving transport of spin qubits for quantum connectivity in quantum computing architectures.

97 MATHEMATICS AND COMPUTING↗

Effect of ZnO and PEDOT:PSS charge selective layers on photovoltage of cuprous oxide (Cu 2 O) heterojunction solar cells

Electrochemical deposition (ECD) of Cu 2 O provides a scalable and low temperature pathway to solar cells with a theoretical high energy conversion efficiency of 23%, based on the 2.0–2.2 eV band gap of Cu 2 O. However, existing ECD-Cu 2 O devices are plagued by poor crystallinity and low selectivity of the electron and hole transport layers. Here we use Vibrating Kelvin Probe Surface Photovoltage Spectroscopy (VKP-SPV) to probe the charge transfer selectivity in FTO/ZnO/Cu 2 O/PEDOT:PSS/Ni heterojunction solar cells. Selective electron extraction is achieved at the ZnO back contact to Cu 2 O, as confirmed by a negative surface photovoltage signal. While the uncoated Cu 2 O surface is electron-selective due to the formation of a hole depletion layer, spin coating of a PEDOT:PSS film turns it into a hole-selective interface. After adding nickel metal ink top electrodes, functional 1.0 cm 2 solar cells with power conversion efficiency (PCE) of up to 0.07%, 195 mV open-circuit voltage, and 1.28 mA cm –2 short-circuit photocurrent are achieved. The photovoltaic performance is higher for aluminum doped zinc oxide (AZO) substrates than for fluorine doped tin oxide (FTO) due to the presence of a n-/p-junction that further increases the electron selectivity of the AZO/ZnO/Cu 2 O contacts. Overall, this work demonstrates the first application of PEDOT:PSS as a hole transport layer (HTL) for Cu 2 O and the use of VKP-SPV to measure the photovoltage contributions of the Cu 2 O interfaces. Furthermore, the ability to fabricate Cu 2 O solar cells at near room temperature without the use of vacuum methods or rare elements is an important step towards a scalable Cu 2 O PV technology.

14 SOLAR ENERGY↗

Spin susceptibility, upper critical field, and disorder effect in $j = \frac{3}{2}$ superconductors with singlet–quintet mixing

Recently, a new pairing state with the mixing between the s-wave singlet channel and the isotropic d-wave quintet channel induced by centrosymmetric spin–orbit coupling has been theoretically proposed in the superconducting materials with $j = \frac{3}{2}$ electrons [J. Yu and C.-X. Liu, Phys. Rev. B 98, 104514 (2018)]. In this article, we derive the expressions of the zero-temperature spin susceptibility, the upper critical field close to the zero-field critical temperature T c , and the critical temperature with weak random non-magnetic disorders for the singlet–quintet mixed state based on the Luttinger model. Our study reveals the following features of the singlet–quintet mixing. (1) The zero-temperature spin susceptibility remains zero for the singlet–quintet mixed state if only the centrosymmetric spin–orbit coupling is taken into account and deviates from zero when the non-centrosymmetric spin–orbit coupling is introduced. (2) The singlet–quintet mixing can help enhance the upper critical field roughly because it can increase T c . (3) Although the quintet channel is generally suppressed by the non-magnetic disorder scattering, we find the strong mixing between singlet and quintet channels can help to stabilize the quintet channel. As a result, we still find a sizable quintet component mixed into the singlet channel in the presence of weak random non-magnetic disorders. Our work provides the guidance for future experiments on spin susceptibility and upper critical field of the singlet–quintet mixed superconducting states and illustrates the stability of the singlet–quintet mixing against the weak random non-magnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗