arXiv subjects

Michael E. Flatté

Publications and source records attributed to Michael E. Flatté.

At least 19 recordsLinked to original sources

arXiv2026

Magnon-Phonon Dynamics in Multidimensional Antiferromagnetic Oxides

Antiferromagnetic oxides offer a compelling paradigm for magnonics. Combining ab initio and spin Hamiltonian modeling, we map Cr2O3 from bulk to monolayer limits, verifying stability via phonon spectra. Contrary to previously predicted half-metallic ferromagnetic monolayer phases, we conclusively demonstrate that monolayer and bilayer configurations preserve an antiferromagnetic semiconductor ground state despite systematic gap narrowing. Intersecting magnon and phonon branches drive strong hybridization, establishing low-dimensional Cr2O3 as an ideal platform for quantum spintronics.

cond-mat.mtrl-sci↗

arXiv2026

Spin-Lattice Dynamics and Interactions in Magnonic Spinels

Minimizing magnetic damping while understanding spin-lattice interactions remains a key challenge for magnonics. We show site-specific Al/Li ordering in spinel ferrites drives a ferrimagnetic insulating state, quenching the Fermi-level density of states. \textit{Ab initio} calculations reveal collective acoustic modes alongside sub-lattice-selective optical modes on tetrahedral and octahedral networks, providing a microscopic understanding of substitution-driven spin dynamics. Crucially, the low-frequency magnon and acoustic phonon modes intersect, driving strong hybridization for low-loss technologies.

cond-mat.mtrl-sci↗

arXiv2026

Kinetics of electron-phonon scattering in silicon resolved by Rydberg transitions of donors

Rydberg states of atoms in vacuum are now well recognized as a resource for quantum technologies. Donors in semiconductors also display analogous states, which have been proposed for similar applications. While they benefit from permanent locations in their host crystals, electron-lattice coupling leads to much shorter excited-state lifetimes than for neutral atoms in vacuum. Here we provide a quantitative description of donor-phonon kinetics, creating a basis for engineering donor systems in realistic material stacks for quantum devices. Our theory incorporates both form factors for the Rydberg states, which given their large extents in real space provide strong selectivity in momentum space, and tabulated deformation potentials for all six phonon branches throughout the Brillouin zone. By confronting this framework with carefully controlled time-resolved free electron laser measurements, we show that the widely quoted position of the silicon conduction band minimum, $k_0$, is inconsistent with observed donor relaxation rates and that quantitative agreement is obtained for a value further from the X-point than commonly assumed. This stringent experiment-theory comparison establishes donor relaxation as a precision metrology for conduction band parameters and scattering processes in silicon, with consequences spanning from quantum devices to classical electronics.

quant-ph↗

arXiv2026

Calculations of current in the cotunneling regime using Lindblad equations

Transport through zero-dimensional states in a tunneling barrier can occur via co-tunneling, wherein a carrier occupying a state outside the range of energies between the chemical potentials of the two leads hops to a lead, and within the brief time permitted by the energy-time uncertainty relationship the occupancy is replenished from the other lead. Here, we calculate the current in such junctions using a Lindblad formalism within the Markovian approximation. We consider transport in the Coulomb blockade regime with spin-polarized leads and a magnetic field smaller than the coercive field of either lead. Dependences on magnetic field and lead spin polarization of the spin blockade, decoherence, and spin lifetime of the subsystems of this model are calculated.

cond-mat.mes-hall↗

arXiv2026

Nuclear-Electron Hyperfine Coupling of the Shallow States Associated with Vacancies in Gallium Nitride

We use multiband real space Green's functions computed using open-boundary conditions for clean GaN to exactly solve the potential-scattering Dyson equation to obtain the electronic structure of single nitrogen and gallium vacancies. From these vacancy solutions, we compute the local density of states as well as the Fermi contact and anisotropic contributions to the hyperfine field in the vicinity of the defect. These quantities directly affect electrically-detected magnetic resonance signals, which can be used to identify these defects when present in GaN devices.

cond-mat.mtrl-sci↗

arXiv2026

Theory of Electrically Detected Magnetic Resonance of Silicon Vacancy-Related Spin Pairs in Silicon Carbide

We present a quantitative theory for simulating the electrically detected magnetic resonance (EDMR) of silicon vacancy-related spin pairs in silicon carbide using steady-state Lindblad master equations. In our theory, we consider V1a and V2a deep level silicon vacancies near the (0/-) charge state transition level in proximity to a previously identified nitrogen-related complex, the incomplete K-center, due to the hyperfine, spin structure, and Landé g factor of the shallow state. Our theory describes recent room temperature measurements attributed to V1a silicon vacancies, with reasonable extracted parameters for defect spin coherence times and electrical transport rates. At lower temperatures we predict that the shallow level hyperfine structure may be spectrally resolvable. Finally, we predict the EDMR spectrum of V2a silicon vacancy-related spin pairs and predict that two-photon, double quantum transitions of the silicon vacancy's negative charge state can be electrically read-out for enhanced magnetic field sensing.

cond-mat.mtrl-sci↗

arXiv2026

Imaging Harmonic Generation of Magnons

This work combines theory and experiment to examine the mechanisms underlying the harmonic generation of magnons. We develop a nonlinear spin-wave framework that is directly analogous to harmonic generation in nonlinear optics, and combine it with scanning nitrogen-vacancy (NV) center magnetometry to image and quantify magnonic harmonic generation in a Ni$_{81}$Fe$_{19}$/Pt microstripe. Within this framework, the harmonic response arises from nonlinear magnetization dynamics localized at strongly inhomogeneous textures, such as the sample edges and domain walls, that act as anharmonic confining potentials. Scanning probe imaging confirms that the harmonic response is correspondingly nonuniform and concentrated near the sample edges. We measure an expected nonlinear power-law scaling, a systematic shift toward larger wavevector excitations at higher harmonic order, and a spin-selective response indicative of an increasingly chiral harmonic stray field. These results provide a microscopic understanding of magnonic harmonic generation and highlight its potential for engineering nonlinear functionality in magnonic systems.

cond-mat.mes-hall↗

arXiv2026

Imaging the high-frequency charging dynamics of a single impurity in a semiconductor on the atomic scale

As electronic devices approach the atomic limit, the charge dynamics of individual dopant atoms increasingly constrain performance, stability, and coherence. In scanning tunnelling microscopy (STM), donor ionization is typically interpreted as a static threshold process arising from tip-induced band bending. Here we show that the ionization of individual sulfur donors in InAs is intrinsically dynamic and governed by the local electric field. Using MHz-frequency STM noise spectroscopy with atomic-scale spatial mapping, we resolve pronounced random telegraph noise that is invisible in time-averaged tunnelling spectra. A bias-dependent model quantitatively links the noise spectra to microscopic ionization and neutralization processes of the donor states, enabling direct extraction of nanosecond charge-state lifetimes. The switching rate is strongly bias dependent, demonstrating that the electric field continuously drives charge-state transitions. Unexpectedly, we show that the degenerately doped bulk leads to a sharp bias-dependent onset of donor ionization as the donor level crosses the Fermi level, giving rise to a characteristic shoulder in the noise power spectrum that is captured by our model. These results establish donor ionization as a non-equilibrium dynamical process with nontrivial contribution by the bulk electrons, and identify impurity switching as a universal nanoscale charge-noise mechanism relevant to quantum devices.

cond-mat.mes-hall↗

arXiv2025

Engineering diamond interfaces free of dark spins

Nitrogen-vacancy (NV) centers in diamond are extensively utilized as quantum sensors for imaging fields at the nanoscale. The ultra-high sensitivity of NV magnetometers has enabled the detection and spectroscopy of individual electron spins, with potentially far-reaching applications in condensed matter physics, spintronics, and molecular biology. However, the surfaces of these diamond sensors naturally contain electron spins, which create a background signal that can be hard to differentiate from the signal of the target spins. In this study, we develop a surface modification approach that eliminates the unwanted signal of these so-called dark electron spins. Our surface passivation technique, based on coating diamond surfaces with a thin titanium oxide (TiO$_2$) layer, reduces the dark spin density. The observed reduction in dark spin density aligns with our findings on the electronic structure of the diamond-TiO$_2$ interface. The reduction, from a typical value of $2,000$~$μ$m$^{-2}$ to a value below that set by the detection limit of our NV sensors ($200$~$μ$m$^{-2}$), results in a two-fold increase in Hahn-echo coherence time of near surface NV centers. Furthermore, we derive a comprehensive spin model that connects dark spin relaxation with NV coherence, providing additional insights into the mechanisms behind the observed spin dynamics. Our findings are directly transferable to other quantum platforms, including nanoscale solid state qubits and superconducting qubits.

quant-ph↗

arXiv2025

Spatial structure and magnetism of a spin-orbit entangled spin-1 coherent spin center: the manganese neutral acceptor in a III-V semiconductor

A Mn dopant in a III-V semiconductor produces a highly-entangled, coherent triplet ground state not fully captured by single-determinant theories of electron structure. We directly construct an analytic form for its ground-state wavefunction, finding surprising spin-charge correlations not revealed by semiclassical calculations. Spin-correlated circulating currents associated with the dopant yield remarkably large magnetic fringe fields of $\sim$1$\,μ$T at distances of $\sim 10$~nm from Mn in GaAs, potentially detectable by NV-diamond magnetometry while the dopant spin coherently precesses.

cond-mat.mes-hall↗

arXiv2025

Single Color Center Spin Coherence revealed in Optically Detected Magnetic Resonance of an Ensemble of Silicon Vacancies in SiC

We present a quantitative theory for simulating optically detected magnetic resonance (ODMR) measurements of optically-active spin centers using steady-state Lindblad equations. We apply the theory to an experimental ODMR spectrum associated with the negatively-charged silicon vacancy V2 center in 6H-SiC, showing that spin Hamiltonian parameters, optical transition rates, and even coherence times may be extracted, with values consistent with recent literature. Notably the $T_2$ spin coherence time is measurable, not just the $T_2^*$ dephasing time. Furthermore, we simulate the ODMR spectra of a V2 center in isotopically-purified 6H-SiC, and predict an order-of-magnitude narrowing of some, but not all spectral lines compared with natural abundance samples.

cond-mat.mes-hall↗

arXiv2025

Quantum Coherence of Rare-Earth Ions in Heterogeneous Photonic Interfaces

Harnessing rare-earth ions in oxides for quantum networks requires integration with bright emitters in III-V semiconductors, but local disorder and interfacial noise limit their optical coherence. Here, we investigate the microscopic origins of the ensemble spectrum in Er$^{3+}$:TiO$_2$ epitaxial thin films on GaAs and GaSb substrates. Ab initio calculations combined with noise-Hamiltonian modeling and Monte Carlo simulations quantify the effects of interfacial and bulk spin noise and local strain on erbium crystal-field energies and inhomogeneous linewidths. Photoluminescence excitation spectroscopy reveals that Er$^{3+}$ ions positioned at increasing distances from the III-V/oxide interface produce a systematic blue shift of the $Y_1\rightarrow Z_1$ transition, consistent with strain relaxation predicted by theory. Thermal annealing produces a compensating redshift and linewidth narrowing, isolating the roles of oxygen-vacancy and gallium-diffusion noise. These results provide microscopic insight into disorder-driven decoherence, offering pathways for precise control of hybrid quantum systems for scalable quantum technologies.

quant-ph↗

arXiv2025

Suppression of charge-density wave and superconductivity in a lithiated NbSe$_2$ monolayer

We present an \textit{ab initio} investigation of the long-range charge density wave (CDW) order and superconducting properties of the pristine and lithiated NbSe$_2$ monolayer. Stable CDW structures are obtained through atomic reconstruction driven by soft-mode distortions and lithiation, respectively, lead to significant electronic modifications that suppress the CDW order. This suppression is attributed to anisotropic atomic distortions, along with a reduction in the electronic density of states at the Fermi level. As a result, the electron--phonon coupling strength is suppressed, particularly in the lithiated structure, due to reduced contributions from low-frequency phonons, primarily associated with in-plane Nb vibrations. Finally, we observe a sizable anisotropy in the superconducting gap on the Fermi surface, with a superconducting transition temperature of approximately 8~K in the distorted, and 4~K in the lithiated, CDW NbSe$_2$ monolayer.

cond-mat.supr-con↗

arXiv2025

Microscopic Scattering Approach to In-Gap States: Cr Adatoms on Superconducting β-Bi2Pd

We develop a microscopic scattering formalism to describe Yu-Shiba-Rusinov (YSR) states due to a single Cr adatom on the Bi-terminated surface of $β-Bi_2Pd$, by combining ab initio Wannier functions with a real-space Green's function approach in the Bogoliubov-de Gennes formalism. Our framework reproduces key scanning tunneling spectroscopy features, including a single particle-hole asymmetric YSR peak and isotropic dIdV maps around the impurity. Decomposing the YSR states reveals contributions from four nearly degenerate C4v representations, with energy broadening masking their individual signatures. Spin-orbit coupling induces partial spin polarization, while the spatial asymmetry between particle and hole components arises from Cr d-Bi p hybridization. These results highlight the importance of realistic band structures and microscopic modeling for interpreting STM data and provide a foundation for studying impurity chains hosting topological excitations.

cond-mat.supr-con↗

arXiv2025

Imaging the Acceptor Wave Function Anisotropy in Silicon

We present the first scanning tunneling microscopy (STM) images of hydrogenic acceptor wave functions in silicon. These acceptor states appear as square ring-like features in STM images and originate from near-surface defects introduced by high-energy bismuth implantation into a silicon (001) wafer. Scanning tunneling spectroscopy confirms the formation of a p-type surface. Effective-mass and tight-binding calculations provide an excellent description of the observed square ring-like features, confirming their acceptor character and attributing their symmetry to the light- and heavy-hole band degeneracy in silicon. Detailed understanding of the energetic and spatial properties of acceptor wave functions in silicon is essential for engineering large-scale acceptor-based quantum devices.

cond-mat.mes-hall↗

arXiv2025

Crystal fields, exchange, and dipolar interactions and noncollinear magnons of erbium oxide

We simulate the properties of magnons in erbium oxide, a noncollinear antiferromagnet, from an effective single-ion Hamiltonian, including exchange and long-range dipolar interactions. We parametrize the crystal field splitting of Er$_2$O$_3$ using Steven's operators and obtain the effective symmetry-dependent exchange constants between different erbium ions quenched by the crystal field at different symmetry sites. We apply the Holstein-Primakoff transformation to the noncollinear spin system and employ paraunitary diagonalization for the effective spin Hamiltonian. The addition of the dipolar interaction to the exchange magnon dispersion changes the magnon bands drastically. The long-range nature of the dipolar interaction provides challenges to convergence, however we find that the averaged and normalized difference in the magnon dispersion is less than an averaged factor of $10^{-6}$ if the dipolar interaction is included out to the fortieth nearest neighbor.

cond-mat.mes-hall↗

arXiv2025

A general and modular approach to solid-state integration and readout of zero-dimensional quantum systems

Here, we present an all-electrical readout mechanism for quasi-0D quantum states (0D-QS) such as point defects, adatoms and molecules, that is modular and general, providing an approach that is amenable to scaling and integration with other solid-state quantum technologies. Our approach relies on the crea-tion of high-quality tunnel junctions via the mechanical exfoliation and stacking of multi-layer gra-phene (MLG) and hexagonal boron nitride (hBN) to encapsulate the target system in an MLG/hBN/0D-QS/hBN/MLG heterostructure. This structure allows for all-electronic spectroscopy and readout of candidate systems through a combination of coulomb and spin-blockade. As a proof of principle, we demonstrate electronic tunneling spectroscopy of point defects in hBN and the molecular qubit vanadyl phthalocyanine (VOPc). Our approach demonstrates a new pathway for the incorporation of molecules and atomic defects into solid-state quantum devices and circuits along with a readout scheme that does not rely on highly-constrained optical processes for photonic readout.

cond-mat.mtrl-sci↗

arXiv2025

Functionalized Cr$_2$C MXenes: Novel Magnetic Semiconductors

We report an \textit{ab initio} investigation of functionalized and 3$d$-electrons doped Cr$_2$C MXenes. Upon functionalization, the Cr$_2$C becomes chemically, dynamically, and mechanically stable, and it exhibits magnetic semiconducting behavior. Cr$_2$CF$_2$ stands out as a wide band gap semiconductor, possessing super exchange interaction mediated by F atoms within the layer, however, the applied strain transforms it from an indirect to a direct band gap semiconductor. Strong spin-phonon coupling found in Cr$_2$CH$_2$ is supported by the distorted Cr spin density due to hydrogen environment. Two magnon branches, associated with two sub-lattice spins, are found in the ferromagnetic Cr$_2$CO$_2$ and antiferromagnetic Cr$_2$CF$_2$. Depending on the types of 3$d$-electron dopants and functionalization, Cr$_2$C MXenes (except for Cr$_2$CO$_2$) change from the indirect band gap magnetic semiconductor to different states of electronic and magnetic matter including exotic direct band gap magnetic bipolar semiconductor. In addition, we reveal a band inversion between the two highest valence bands in the Fe-doped Cr$_2$CCl$_2$.

cond-mat.mtrl-sci↗