Spin Charge Research Articles

Tunable Electron Correlation in Epitaxial 1T-TaS2 Spirals.

Tantalum disulfide (1T-TaS2), being a Mott insulator with strong electron correlation, is highlighted for diverse collective quantum states in the 2D lattice, including charge density wave (CDW), spin liquid, and unconventional superconductivity. The Mott physics embedded in the 2D triangular CDW lattice has raised debates on stacking-dependent properties because interlayer interactions are sensitive to van der Waals (vdW) spacing. However, control of interlayer distance remains a challenge. Here, spiral lattices in the epitaxial TaS2 spirals are studied to probe collective properties with tunable interlayer interactions. A scalable synthesis of epitaxial TaS2 spirals is presented. A more than 50%-increased interlayer spacing enables prototype decoupled monolayers for enhanced electronic correlation exhibiting Mott physics at room-temperature and a simplified system to explore collective properties in vdW materials.

The analytical resolution of Klein–Gordon equation with vector and scalar for Coulomb plus Yukawa potentials

Similar to how general relativity emerged, quantum mechanics resulted from experimental observations that made us radically rethink our previous assumptions. Scientists who study atoms need to solve these three equations. They are for a system with N electrons affected by the nucleus’s attractive Coulomb force and the repulsive force between each pair of electrons and other potentials. While general relativity has upended our large-scale conception of the universe, quantum mechanics calls into question all our intuition regarding particle physics. The Klein–Gordon (KG) resolution helps determine some physical systems and their properties by finding their bound states and eigenfunctions. These are resolved using analytical and numerical methods, as well as Coulomb and Yukawa potentials. In order to extract some of the first eigenvalues of the quantum mechanical system, we applied the Nikiforov–Uvarov (NU) method to the KGequation. The findings are significant for understanding nuclear charge radius, spin, nuclear diffusion and other topics in numerous theoretical physics and quantum chemistry fields because they are more generic and helpful.

Pursuing high-fidelity control of spin qubits in natural Si/SiGe quantum dot

Electron spins in silicon quantum dots are a promising platform for fault-tolerant quantum computing. Low-frequency noise, including nuclear spin fluctuations and charge noise, is a primary factor limiting gate fidelities. Suppressing this noise is crucial for high-fidelity qubit operations. Here, we report on a two-qubit quantum device in natural silicon with universal qubit control, designed to investigate the upper limits of gate fidelities in a non-purified Si/SiGe quantum dot device. By employing advanced device structures, qubit manipulation techniques, and optimization methods, we have achieved single-qubit gate fidelities exceeding 99% and a two-qubit controlled-Z (CZ) gate fidelity of 91%. Decoupled CZ gates are used to prepare Bell states with an average fidelity of 91%, typically exceeding previously reported values in natural silicon devices. These results underscore that even natural silicon has the potential to achieve high-fidelity gate operations, particularly with further optimization methods to suppress low-frequency noise.

Atom-Vacancy-Defect-Derived Electric Hysteresis Loops and Stochastic Low-Frequency Noises in Few-Atom Layer MoS2.

Atom-vacancy-defects present in various materials yield numerous interesting physical phenomena, even obstructing high performance in some cases. On the other hand, their valuable applications to novel devices, such as nitrogen vacancy centers in diamond for quantum bits, have gathered significant attention. In particular, these tendencies become more substantial in two-dimensional (2D) (atomically) thin van der Waals layers. However, correlations with various kinds of atom defects are still under exploration. Herein, we find the stochastic behaviors of large hysteresis loops with strong photoresponse in the static electrical properties in few-atom layer semiconductors, molybdenum disulfide (MoS2). The temperature dependence and transmission electron microscopy reveal that they arise from pairs of two neighboring in-plane S-vacancy defects, which predominantly present only around the interface at the MoS2 flake/substrate, with activation energies ∼0.35 eV. The low-frequency (f) (LF) noise measurements clarify a high f shift in the two 1/f2-dependent regimes, implying stochastic behaviors of electric charges through the S-vacancy pairs with high-speed charge(spin) transitions across low kinetic energy barriers between narrow discrete states. The shallow energy sates are formed from the highly uniform S-vacancy pairs interacting with Mo atoms, which act like quantum dots. The observed stochastic operation holds promise for various application, particularly for probabilistic neuromorphic computation in artificial intelligence.

Enhanced spin Hall ratio in two-dimensional semiconductors

The conversion efficiency from charge current to spin current via the spin Hall effect is evaluated by the spin Hall ratio (SHR). Through state-of-the-art ab initio calculations involving both charge conductivity and spin Hall conductivity, we report the SHRs of the III-V monolayer family, revealing an ultrahigh ratio of 0.58 in the hole-doped GaAs monolayer. In order to find more promising 2D materials, a descriptor for high SHR is proposed and applied to a high-throughput database, which provides the fully relativistic band structures and Wannier Hamiltonians of 216 exfoliable monolayer semiconductors and has been released to the community. Among potential candidates for high SHR, the MXene monolayer Sc2CCl2 is identified with the proposed descriptor and confirmed by computation, demonstrating the descriptor validity for high SHR materials discovery.

DFT and EPR Study of Spin Excitations in Oxidized Thiophene-Based Conjugated Oligomers

Comparison of data obtained using the density functional theory (DFT) and electron paramagnetic resonance (EPR) method made it possible to establish the composition and state of spin charge carries in the poly(3, 4-ethylenedioxythiophene) (PEDOT) and poly(3-alkylthiophene) (P3AT) oligomers. The coexistence of several polarons on the P3AT chain, the properties of which are governed by the structure of the substituents, is identified. All terms of the spin Hamiltonians of different oligomers were obtained, and their high-resolution EPR spectra were calculated. The structure of the P3AT substituents is shown to influence the polaron spin state and hyperfine interaction with its own microenvironment. The prospects of the approaches used in the work to develop electronic and spintronic elements with spin-controlled parameters are shown.

Atomic scale etching of diamond: insights from molecular dynamics simulations

Abstract Diamond is a promising material for multiple applications in quantum information processing and sensing as well as applications in microelectronics. However, diamond devices can be limited by surface defects that compromise charge stability and spin coherence, among others. Improved strategies in plasma etching of diamond could play an important role in minimizing or eliminating these defects. In this work, we explore plasma-assisted atomic scale etching of diamond using argon ions (Ar+), hydrogen ions (H+) and hydrogen atoms (H). We employ classical molecular dynamics (MD) simulations and test several interatomic potentials based on the Reactive Empirical Bond Order (REBO) form with comparisons to a variety of published experimental results. We performed MD simulations of low-energy hydrogen ( ⩽ 50 eV) and argon ( ⩽ 200 eV) ion bombardment of diamond surfaces. Ar+ bombardment can be used to locally smooth initially rough diamond surfaces via the formation of an amorphous C layer, the thickness of which increases with argon ion energy. Subsequent exposure with hydrogen ions (or fast neutrals) will selectively etch this amorphous C layer, leaving the underlying diamond layer mostly intact if the H energy is maintained below about 10 eV. The simulations suggest that combining Ar+ smoothing with selective, near threshold energy H removal of amorphous C can be an effective strategy for diamond surface engineering, leading to more reliable and sensitive diamond color center devices.

High-fidelity spin readout via the double latching mechanism

Projective measurement of single-electron spins, or spin readout, is among the most fundamental technologies for spin-based quantum information processing. Implementing spin readout with both high-fidelity and scalability is indispensable for developing fault-tolerant quantum computers in large-scale spin-qubit arrays. To achieve high fidelity, a latching mechanism is useful. However, the fidelity can be decreased by spin relaxation and charge state leakage, and the scalability is currently challenging. Here, we propose and demonstrate a double-latching high-fidelity spin readout scheme, which suppresses errors via an additional latching process. We experimentally show that the double-latching mechanism provides significantly higher fidelity than the conventional latching mechanism and estimate a potential spin readout fidelity of 99.94% using highly spin-dependent tunnel rates. Due to isolation from error-inducing processes, the double-latching mechanism combined with scalable charge readout is expected to be useful for large-scale spin-qubit arrays while maintaining high fidelity.

Detection of harmful gases (NO, NO2) by GaN@MoSSe heterostructures embedded with transition metal (Cu, Fe and Mn) atoms: A DFT study

Monitoring and identifying air pollutants, such as NO and NO2, is crucial due to their detrimental impact on both the environment and human health. This work employs density functional theory (DFT) with the PBE + U functional to investigate the adsorption and sensing performance of NO and NO2 on transition metal (TM)-doped GaN@MoSSe heterostructures. The adsorption energy, charge transfer, electron localization functions, charge density difference, spin density, band gaps and density of states are analyzed. The findings reveal that a transition from physisorption to chemisorption occurs after TM atoms doping. Also, when the surface is embedded with Cu, Fe and Mn atoms, there is a significant improvement in the behavior related to gas adsorption. The bandgap and its variations lead to the change in surface electrical conductivity, thereby affecting the gas sensitivity of the adsorption system. Particularly, the CuGa-GaN@MoSSe and FeGa-GaN@MoSSe systems exhibit improved gas sensitivity toward NO due to their significant band gap reduction. Meanwhile, the CuSe−MoSSe@GaN, CuGa-GaN@MoSSe, FeGa-GaN@MoSSe and MnGa-GaN@MoSSe systems also demonstrate enhanced sensing capabilities for NO2. This work offers valuable theoretical insights for exploring the potential applications of TM-GaN@MoSSe heterostructures in gas sensing.

Rational Linker Design for Enhanced Performance of MOF-Derived Catalysts in Electrochemical Urea Synthesis.

2D metal-organic frameworks (2D MOFs) offer promising electrocatalytic potential for urea synthesis, yet the underlying reaction mechanisms and structure-activity relationships remain unclear. Using Cu-BDC as a model, density functional theory (DFT) calculations to elucidate these aspects are conducted. The results reveal a novel coupling mechanism involving *NO─CO and *NO─*ONCO, emphasizing the impact of linker modifications on Cu spin states and charge distribution. Notably, Cu-BDC-NH2 and Cu─BDC─OH emerge as promising catalysts. Additionally, structure-activity relationships through descriptors like d-band center, IE ratio, and L(Cu─O), providing insights for rational catalyst design is established. These findings pave the way for optimized catalysts and sustainable urea production, opening avenues for future research and technological advancements.

Shadow of rotating black holes surrounded by dark fluid with Chaplygin-like equation of state and constraints from EHT results

Abstract The present work is devoted to testing spacetime properties around black holes surrounded by a dark fluid that are candidates for dark energy, which can be described by the Chaplygin-like equation of state through its shadow. To do this, we first study the horizon structure of the black hole and its shadow. Then, we obtain a rotating black hole solution in the presence of a dark fluid using the generalized Newman-Janis algorithm and study the effects of the black hole spin and the fluid parameters on the black hole horizons. Also, we obtain the shadow cast of the rotating black hole using celestial coordinates and have shown that the presence of the dark fluid causes an increase in shadow size. Moreover, we also obtain constraints on the spin and black hole charge together with the dark fluid parameters using the shadow size of supermassive black holes Sagittarius A* and M87* from Event Horizon Telescope observations. Finally, we also investigate the energy emission rate of the charged black hole surrounded by a Chaplygin-like dark fluid compared to both rotating and nonrotating cases.

Charge and Spin Dynamics and Destabilization of Shallow Nitrogen-Vacancy Centers under UV and Blue Excitation.

Shallow nitrogen-vacancy (NV) centers in diamond offer opportunities to study photochemical reactions, including photogeneration of radical pairs, at the single-molecule regime. A prerequisite is a detailed understanding of charge and spin dynamics of NVs exposed to the short-wavelength light required to excite chemical species. Here, we investigate the charge and spin dynamics of shallow NVs under 445 and 375 nm illumination. With blue excitation, charge-state preparation is power-dependent, and modest spin initialization fidelity is observed. Under UV excitation, charge-state preparation is power-independent and no spin polarization is observed. Aging of NVs under prolonged UV exposure manifests in a reduced charge stability and spin contrast. We attribute this aging to modified local charge environments of near-surface NVs and identify distinct electronic traps only accessible at short wavelengths. Finally, we evaluate the prospects of NVs to probe photogenerated radical pairs based on measured sensitivities and outline possible sensing schemes.

Measurement-induced phase transitions by matrix product states scaling

We study the time evolution of long quantum spin chains subjected to continuous monitoring projected on matrix product states (MPS) with fixed bond dimension, by means of the Time-Dependent Variational Principle (TDVP) algorithm. The latter gives an effective unitary evolution which approximates the real quantum evolution up to the projection error. We show that such error displays, at large times, a phase transition in the monitoring strength, which can be well detected by scaling analysis with relatively low values of bond dimensions. Moreover, in the presence of U(1) global spin charge, we show the existence of a charge-sharpening transition well separated from the entanglement transition which we detect by studying the charge fluctuations of a local subpart of the system at large times. Our work shows that quantum monitored dynamics projected on MPS manifolds contains relevant information on measurement-induced phase transitions and provides a new method to identify measured-induced phase transitions in systems of arbitrary dimensions and sizes. Published by the American Physical Society 2024

Onsager relations between spin currents and charge currents

Onsager relations between spin currents and charge currents

Spin Charge of Co Nanoparticles Loaded on the Carbon Substrate Enabling Rate‐Capable Lithium Storage at High Mass‐Loadings

AbstractDeveloping high mass‐loading electrodes is crucial for enhancing the energy density of current batteries, yet challenges such as poor rate performance and cycling instability must be addressed. Spin charge storage on transition metal nanoparticle surfaces, characterized by rapid charging and the absence of phase transitions, offers an ideal storage behavior for high mass‐loading electrodes. In this study, electrospinning is utilized to fabricate free‐standing carbon nanofibers incorporating Co nanoparticles for high‐mass loading and high‐performance anodes. The resulting anode, with a maximum mass loading of 6.8 mg cm−2, exhibits remarkable cycle stability and high‐rate performance of 2 A g−1 at a capacity over 3 mAh cm−2, superior than reported results. Magnetometry and electron paramagnetic resonance spectroscopy are employed to monitor the charge storage mechanism of the Co@CNFs, involving both the reversible formation of a spin capacitance and the growth of radical anions in the solid electrolyte interface. Additionally, in situ X‐ray diffraction and optical microscopy provide direct evidence of the absence of mechanical stress‐induced phenomena within the spin charge process, attributed to high‐rate capable lithium storage under high mass loading. The strategic approach presented herein offers a reliable methodology for engineering high‐energy‐density lithium‐ion batteries.

Shadow and quasinormal modes of novel charged rotating black hole in Born–Infeld theory: Constraints from EHT results

This work investigates the shadow and quasinormal modes of a novel rotating Born–Infeld-type black hole. First, we study the effect of interaction between nonlinear electrodynamic fields and photons on shadow radius and show that it is less than the error of shadow measurements in Event Horizon Telescope (EHT) observations. Then, we obtain a rotating metric using the Newman–Janis algorithm, starting with the initial metric of the nonrotating novel Born–Infeld black hole solution. Next, we analyze the null geodesics to determine the celestial coordinates. The black hole’s shadow radius is determined by using celestial coordinates. The mass, spin, charge, and nonlinearity parameters all influence the shape and size of the black hole shadow. An increase in the spin parameter results in a gradual reduction in the size of black hole shadows and further distortion of the shadows. Furthermore, constraints on the spin and electric charge of black holes, as well as the nonlinearity parameter, are derived through the utilization of the shadow sizes of supermassive black holes Sagittarius (Sgr) A* and M87* obtained from observations of the EHT. Also, we investigate the correlation between the standard shadow radius and the equatorial and polar quasinormal modes for revolving black holes. Finally, we analyze the emission energy rate from the black hole based on different spacetime parameters. Our observation indicates that the emission energy rate decreases as the values of spin and nonlinearity parameters increase, keeping the charge-to-mass ratios of the Born–Infeld black hole constant.

On the path of spin-[formula omitted] Berry phase

This paper investigates the relation between the Berry phase of a spinor accumulated along a path corresponding to an adiabatically varying magnetic field and the conformal deformation along the path in the parameter space. The first part demonstrates that the accumulated phase can be controlled by continuous deformation characterized by a single conformal parameter. The source of the corresponding field strength responsible for the deformed phase path is shown to be a conformally deformed monopole located at the origin in the parameter space with the fundamental strength g=±1/2. In the second part, we model a rotating magnetic field coupled to a charged spinor with a time-varying amplitude subjected to the conformal deformation, realizing a single-variable deformation of the evolution process of the phase path.

Circular motion and collisions of charged spinning particles near Kerr Newman black holes

We investigate the dynamics of spinning particles with an electric charge orbiting electrically charged Kerr–Newman black holes. First, we derive the equations of motion for the test particles using the Mathisson-Papapetrou-Dixon (MPD) equations, taking into account electromagnetic interaction and the interaction between the particle spin and the spacetime curvature known as the Lorentz coupling term in the MPD equation. We analyze the related effective potential in various scenarios of particle spin, angular momentum, and black hole spin orientation. In addition, we provide graphical analyses of the radius of innermost stable circular orbits (ISCOs) of the particles, their angular momentum, and energy at ISCOs and superluminal bounds. The ISCOs for positive and negatively charged particles are almost the same. The combined effects of the black hole and particle spins enhance the Coulomb interaction effect on the ISCO radius. The ISCO energy and angular momentum decrease with the increase in particle spin. In the Reissner–Nordström (RN) black hole limit, the decreasing rate is faster at positive values of the particle spin, and the spin limit changes in the Kerr–Newman black hole case. Finally, we study collisions between spinning charged particles near Kerr–Newman black holes. The critical values of the angular momentum of spinning charged particles are explored, and the particles can collide in various cases of particle and black hole spin, as well as the particle angular momentum. We also analyze electromagnetic and spin effects on the center-of-mass energy of the colliding particles.

The surface defect of Fe2Ge (001) induces a synergistic spin effect and regulates the surface magnetism

The defect structure leads to the fracture and recombination of chemical bonds, lattice distortion, electron localization, etc., which has a significant improvement on the physical properties of materials, and give them new functions. The unique structure of Fe2Ge forms the surface structure of Ge end face and Fe end face in the direction of (001), but the surface is easy to form defect structure, and affecting its properties. It is found that the spin direction of Ge atom is opposite to the spin direction of Fe atom in perfect Fe2Ge (001) surface structure. When there is VGe defect, the magnetic moments of the perfect Fe2Ge (001) surface and Fe atoms are enhanced. When there are VFe, VFe-Ge and VGe-Fe defects, the magnetic moments of defects Fe2Ge (001) surface and Fe atoms are weakened. The reason is that the spin state electrons of Fe atoms induce Ge atoms to produce spin electrons, which forms a synergistic spin effect. The Hirshfeld Charge distribution and charge spin of Fe and Ge atoms are affected by the local potential field, Ge atoms are excited with spin direction of Fe atoms with VFe and VFe-Ge, and Ge atoms induce magnetic moments with spin direction of Fe atoms with VGe and VGe-Fe. The effects mechanism is that the five orbitals dzz, dxy, dzy, dzx and dxx-yy of Fe atom are greatly affected by the structure of the defect under the action of crystal field, while the s, px, py and pz orbitals are less affected. In VGe and VFe-Ge defects, the spin splitting of the d orbitals is larger to form a larger magnetic moment. In VFe and VGe-Fe defects, the d orbital spin splitting is smaller, and resulting in a smaller magnetic moment. The s, px, py and pz of Ge atoms are greatly affected, the spin splitting of pz is larger than that of px and py orbitals, and indicating that the spin of Ge atoms mainly comes from pz orbitals.

Exploring spin current and dielectric switching characteristics of doped-multiferroic in hexagonal phase for advance RAM technology: A theoretical study

The single-phase bismuth ferrite BiFeO3 (BFO) has garnered significant interest due to its spintronic-based switching properties observed at room temperature. The first-principles calculations were executed to examine the spin-polarized electronic, dielectric, and structural characteristics of co-doped BFO with lanthanum (La) at A-site and cobalt (Co), nickel (Ni) at B-site in its hexagonal phase (Bi1-αLaαFe1-βNiβO3 with α = β = 0.04) with generalized gradient approximation (GGA-PBE). The highest value (1.01 × 10−11 A) of total current observed in La Ni co-doped BFO, featuring a distinct spin current of the same magnitude, attributed to spin polarization at the Fermi level (100 %). Additionally, Co-doped BFO exhibits the highest observed spin current density (1.05 × 109A/m2) and charge current density (1.03 × 10−5A/m2). In case of dielectric switching properties, the Ni-doped BFO displays the lowest values of linear dielectric polarization (6.00 × 10−2 C/m2), polarization charge at its interface (1.27 × 10−17 C), capacitance (4.23 × 10−15 F), and switching energy (3.81 × 10−19 J), which is particularly lower than the reported switching energy (1.92 aJ) of multiferroic capacitor.