arXiv subjects

Bart Soree

Publications and source records attributed to Bart Soree.

9 recordsLinked to original sources

arXiv2026

Modeling of flopping-mode spin qubits: beyond the two-site model

We present a flexible modeling framework for flopping-mode spin qubits that captures the spatial structure of the double-well confinement and magnetic-field-gradient profile going beyond conventional low-energy descriptions. By using this approach, we simulate electric dipole spin resonance-based single-qubit control and evaluate the frequency and spectral purity of the Rabi oscillations across different parameter regimes. Our analysis reveals a fundamental tradeoff between fast electrical driving and clean single-mode Rabi oscillations, and demonstrates that the standard two-site low-energy approximation can overestimate the Rabi frequency by up to $\sim$ 20\% in certain parameter regimes. We also investigate two-qubit control by considering two capacitively coupled flopping-mode qubits and derive the corresponding exchange interaction with an appropriately restricted configuration interaction treatment. Our approach reveals the interplay between the spatial profile of the double-well confinement, magnetic field gradient, and Coulomb interaction, which together govern the effective exchange coupling strength. Our spatially resolved modelling framework enables efficient exploration of double-well confinement parameters and magnetic field gradient profiles, enabling a transparent mapping from spatial device properties to flopping-mode qubit parameters and quality metrics.

cond-mat.mes-hall↗

arXiv2026

Composite based magnetoelectric scaled devices with large output voltages

In this work, we investigate the differential voltage generation arising from the direct magnetoelectric (ME) effect in nanoscale composite devices upon magnetization rotation from the magnetic ground state to an out-of-plane (OOP) configuration. These composite devices comprise a magnetostrictive ferromagnetic layer and a piezoelectric layer, mechanically coupled through strain. Using a finite element method (FEM) model, developed in COMSOL Multiphysics, we provide a comprehensive analysis of strain transfer mechanisms and resulting voltage generations. Here, the influence of dimensional and material parameters on the device performance is systematically examined. Our results indicate the presence of two distinct strain transfer mechanisms at scaled dimensions, where the device aspect ratio and the magnetic state both determine the dominant mechanism influencing the strain transfer to the piezoelectric layer. Moreover, we observed that the influence of surface clamping diminished as the pillar area was reduced. We also saw that the strain transfer to the piezoelectric layer can be enhanced by using stiffer electrodes or clamping layers. Lastly, we concluded that magnetostrictive materials with large magnetoelastic coupling constants or large Poisson ratios may strongly increase the output voltage at small dimensions. This study provides insight in the dimension and material selection when designing scaled ME pillars, with the aim of generating large output voltages. We showed that output voltages exceeding 200 mV can be achieved in scaled devices, underscoring the potential of these structures for integration into microelectronic applications.

cond-mat.mes-hall↗

arXiv2023

Reduction of Magnetic Interaction Due to Clustering in Doped Transition-Metal Dichalcogenides: A Case Study of Mn, V, Fe-Doped $\rm WSe_2$

Using Hubbard U corrected density functional theory calculations, lattice Monte-Carlo, and spin-Monte-Carlo simulations, we investigate the impact of dopant clustering on the magnetic properties of WSe2~doped with period four transition metals. We use manganese (Mn) and iron (Fe) as candidate n-type dopants and vanadium (V) as the candidate p-type dopants, substituting the tungsten (W) atom in WSe2. Specifically, we determine the strength of the exchange interaction in the Fe-, Mn-, and V-doped WSe2~ in the presence of clustering. We show that the clusters of dopants are energetically more stable than discretely doped systems. Further, we show that in the presence of dopant clustering, the magnetic exchange interaction significantly reduces because the magnetic order in clustered WSe2~becomes more itinerant. Finally, we show that the clustering of the dopant atoms has a detrimental effect on the magnetic interaction, and to obtain an optimal Curie temperature, it is important to control the distribution of the dopant atoms.

cond-mat.mtrl-sci↗

arXiv2022

Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators

To design fast memory devices, we need material combinations which can facilitate fast read and write operation. We present a heterostructure comprising a two-dimensional (2D) magnet and a 2D topological insulator (TI) as a viable option for designing fast memory devices. We theoretically model spin-charge dynamics between the 2D magnets and 2D TIs. Using the adiabatic approximation, we combine the non-equilibrium Green's function method for spin-dependent electron transport, and time-quantified Monte-Carlo for simulating magnetization dynamics. We show that it is possible to switch the magnetic domain of a ferromagnet using spin-torque from spin-polarized edge states of 2D TI. We further show that the switching between TIs and 2D magnets is strongly dependent on the interface exchange ($J_{\mathrm{int}}$), and an optimal interface exchange depending on the exchange interaction within the magnet is required for efficient switching. Finally, we compare the experimentally grown Cr-compounds and show that Cr-compounds with higher anisotropy (such as $\rm CrI_3$) results in lower switching speed but more stable magnetic order.

cond-mat.mes-hall↗

arXiv2021

Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy

We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte-Carlo (MC), the Green's function method, and the renormalized spin-wave (RNSW). We find that the Green's function overestimates the Curie temperature in high-anisotropy regimes compared to MC, whereas RNSW underestimates the Curie temperature compared to the MC and the Green's function. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature greatly improving over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's function-based equations are preferable, while, for larger anisotropies MC-based results are more predictive.

cond-mat.mtrl-sci↗

arXiv2021

Critical behavior of ferromagnets CrI3, CrBr3, CrGeTe3, and anti-ferromagnet FeCl2: a detailed first-principles study

We calculate the Curie temperature of layered ferromagnets, chromium tri-iodide (CrI3), chromium tri-bromide (CrBr3), chromium germanium tri-telluride (CrGeTe3), and the Neel temperature of a layered anti-ferromagnet iron di-chloride (FeCl2), using first-principles density functional theory calculations and Monte-Carlo simulations. We develop a computational method to model the magnetic interactions in layered magnetic materials and calculate their critical temperature. We provide a unified method to obtain the magnetic exchange parameters (J) for an effective Heisenberg Hamiltonian from first-principles, taking into account both the magnetic ansiotropy as well as the out-of-plane interactions. We obtain the magnetic phase change behavior, in particular the critical temperature, from the susceptibility and the specific-heat, calculated using the three-dimensional Monte-Carlo (Metropolis) algorithm. The calculated Curie temperatures for ferromagnetic materials (CrI3, CrBr3 and CrGeTe3), match very well with experimental values. We show that the interlayer interaction in bulk CrI3 with R3 stacking is significantly stronger than the C2/m stacking, in line with experimental observations. We show that the strong interlayer interaction in R3 CrI results in a competition between the in-plane and the out-of-plane magnetic easy axis. Finally, we calculate the Neel temperature of FeCl2 to be 47 +- 8 K, and show that the magnetic phase transition in FeCl2 occurs in two steps with a high-temperature intralayer ferromagnetic phase transition, and a low-temperature interlayer anti-ferromagnetic phase transition.

cond-mat.mes-hall↗

arXiv2017

Comprehensive Modeling of Graphene Resistivity

Since the first graphene layer was fabricated in the early 2000's, graphene properties have been studied extensively both experimentally and theoretically. However, when comparing the many resistivity models reported in literature, several discrepancies can be found, as well as a number of inconsistencies between formulas. In this paper, we revise the main scattering mechanisms in graphene, based on theory and goodness of fit to in-house experimental data. In particular, a step-by-step evaluation of the interaction between electrons and optical phonons is carried out, where we demonstrate that the process of optical phonon emission scattering is completely suppressed for all low-field applications and all temperatures in the range of interest, as opposed to what is often reported in literature. Finally, we identify the best scattering models based on the goodness of fit to experimental data.

physics.app-ph↗

arXiv2017

Proposal for nanoscale cascaded plasmonic majority gates for non-Boolean computation

Surface-plasmon-polariton waves propagating at the interface between a metal and a dielectric, hold the key to future high-bandwidth, dense on-chip integrated logic circuits overcoming the diffraction limitation of photonics. While recent advances in plasmonic logic have witnessed the demonstration of basic and universal logic gates, these CMOS oriented digital logic gates cannot fully utilize the expressive power of this novel technology. Here, we aim at unraveling the true potential of plasmonics by exploiting an enhanced native functionality - the majority voter. Contrary to the state-of-the-art plasmonic logic devices, we use the phase of the wave instead of the intensity as the state or computational variable. We propose and demonstrate, via numerical simulations, a comprehensive scheme for building a nanoscale cascadable plasmonic majority logic gate along with a novel referencing scheme that can directly translate the information encoded in the amplitude and phase of the wave into electric field intensity at the output. Our MIM-based 3-input majority gate displays a highly improved overall area of only 0.636 μm$^2$ for a single-stage compared with previous works on plasmonic logic. The proposed device demonstrates non-Boolean computational capability and can find direct utility in highly parallel real-time signal processing applications like pattern recognition.

physics.app-ph↗

arXiv2017

Micromagnetic simulations of magnetoelastic spin wave excitation in scaled magnetic waveguides

We study the excitation of spin waves in scaled magnetic waveguides using the magnetoelastic effect. In uniformly magnetized systems, normal strains parallel or perpendicular to the magnetization direction do not lead to spin wave excitation since the magnetoelastic torque is zero. Using micromagnetic simulations, we show that the nonuniformity of the magnetization in submicron waveguides due to the effect of the demagnetizing field leads to the excitation of spin waves for oscillating normal strains both parallel and perpendicular to the magnetization. The excitation by biaxial normal in-plane strain was found to be much more efficient than by uniaxial normal out-of-plane strain. For narrow waveguides with widths of 200\,nm, the excitation efficiency of biaxial normal in-plane strain was comparable to that of shear strain.

cond-mat.mes-hall↗