arXiv subjects

David W. Facemyer

Publications and source records attributed to David W. Facemyer.

5 recordsLinked to original sources

arXiv2026

Paraexciton Excitation in Cu$_2$O under Laguerre--Gaussian Illumination

In Cu$_2$O the lowest yellow exciton, the $Γ_2^+$ paraexciton, is optically inaccessible in conventional spectroscopy because transitions to this state are forbidden in both electric-dipole and electric-quadrupole approximations. We investigate whether optical fields carrying orbital angular momentum (OAM) can overcome this restriction. A microscopic symmetry analysis identifies the gradient-assisted $l=5$ and direct $l=6$ OAM channels as the leading contributions that couple to the paraexciton, independent of the detailed radial profile of the optical field. Calculations for finite-waist Laguerre--Gaussian beams, however, show that the corresponding matrix elements are strongly suppressed because the optical field varies only weakly over the exciton Bohr radius. Thus, satisfying the OAM selection rule alone is insufficient: efficient excitation requires not only the correct angular symmetry but also optical-field variations on the spatial scale of the exciton. This second condition is achieved by localized OAM fields. Expressing the coupling in terms of the physical intensity-ring radius provides a direct comparison between the optical and excitonic length scales and reveals that the optimal localization is determined primarily by the polynomial degree of the target cubic harmonic. For the degree-six $Γ_2^+$ paraexciton the strongest coupling occurs for an intensity-ring radius of approximately $6a_B$--$7a_B$. These results establish that paraexciton excitation is governed jointly by symmetry and spatial localization: cubic symmetry selects the allowed OAM channels, whereas the polynomial degree sets the characteristic radial scale for efficient coupling. This work provides both the symmetry framework and a practical design rule for engineering structured-light excitation of paraexcitons in Cu$_2$O.

cond-mat.mtrl-sci↗

arXiv2026

Bernal Stacking and Symmetry-Inequivalent Antiferromagnetism in MSi$_2$N$_4$ Heterobilayers

Layered MA$_2$Z$_4$ compounds, structural relatives of MoS$_2$ discovered in 2020, exhibit rich magnetic behavior arising from reduced dimensionality, noncentrosymmetric lattice symmetries, and stacking-dependent exchange interactions. Here, we investigate Bernal-like stackings in H-phase MA$_2$Z$_4$ (M = Mn and Fe; A = Si; Z = N) monolayers and bilayers by combining first-principles spin-dependent relaxation energies with a localized-spin Heisenberg description. From density-functional calculations, we extract the dominant intralayer exchange couplings up to third-nearest neighbors and the leading interlayer exchanges up to second-nearest neighbors, enabling construction of an effective bilayer spin Hamiltonian. We first analyze interface-driven proximity effects within a ferromagnetic reference configuration, demonstrating how recovery of AB-type stacking and spin alignment--while varying only the transition-metal species--provides a route for selectively tuning magnetic order and symmetry breaking within the P$\bar{6}$m2 space group. Building on this microscopic understanding of the bonding environment, we then examine antiferromagnetic ordering tendencies in the coupled layers. Exact diagonalization of the resulting bilayer Hamiltonian reveals the magnetic ground state and low-lying excitation spectrum, showing that the interlayer exchange is not merely perturbative but competes directly with intralayer interactions in stabilizing the observed spin configurations. These results establish Bernal-stacked MA$_2$Z$_4$ bilayers as a platform in which stacking geometry and exchange hierarchy jointly govern magnetic reconstruction, offering a controlled pathway toward domain selection and spin-texture engineering in low-dimensional van der Waals materials.

cond-mat.mtrl-sci↗

arXiv2025

Probing nonlocal correlations in magnetic rare-earth clusters

Understanding and quantifying entanglement entropy is crucial to characterize the quantum behaviors that drive phenomena in a variety of systems. Rare-earth spin complexes, with their unique magnetic properties, provide fertile ground for exploring these nonlocal correlations. In this work, we study Eu$^{2+}$ ions deposited on a Au(111) substrate, modeling finite clusters of large spin-moments using a Heisenberg Hamiltonian parameterized by first-principles calculations. Our analysis reveals a one-to-one correspondence between structures in the differential conductance profiles and changes in the von Neumann entanglement entropy of bipartite subsystems, influenced by probe-ion separation and applied magnetic fields. Distinct braiding patterns in the conductance profiles are shown to correspond to stepwise changes in the entanglement entropy, providing a new avenue for investigating quantum correlations. These results establish a foundation for experimentally probing and controlling entanglement in lanthanide-based systems, with potential applications in quantum technologies.

cond-mat.other↗

arXiv2023

Spin and electronic excitations in $4f$ atomic chains on Au(111) substrates

High spin systems, like those that incorporate rare-earth $4f$ elements (REEs), are increasingly relevant in many fields. Although research in such systems is sparse, the large Hilbert spaces they occupy are promising for many applications. In this work, we examine a one-dimensional linear array of europium (Eu) atoms on a Au(111) surface and study their electronic and magnetic excitations. Ab initio calculations using VASP with PBE+U are employed to study the structure. We find Eu atoms to have a net charge when on gold, consistent with a net magnetic momemt of $\simeq 3.5 μ_B$. Examining various spin-projection configurations, we can evaluate first and second neighbor exchange energies in an isotropic Heisenberg model between spin-$\frac{7}{2}$ moments to obtain $J_1 \approx -1.2 \, \mathrm{K}$ and $J_2 \approx 0.2 \, \mathrm{K}$ for the relaxed-chain atomic separation of $a \approx 5$ $\mathrm{\dot{A}}$. These parameters are used to obtain the full spin excitation spectrum of a physically realizable four-atom chain. The large $|J_1|/J_2$ ratio results in a highly degenerate ferromagnetic ground state that is split by a significant easy plane single ion anisotropy of $0.6$ K. Spin-flip excitations are calculated to extract differential conductance profiles as those obtained by scanning tunneling microscopy techniques. We uncover interesting behavior of local spin excitations, especially as we track their dispersion with applied magnetic fields.

cond-mat.mes-hall↗

arXiv2019

The Hybrid Quasiparticles in Organic-Semiconductor Quantum Dot System

In this work electronic structures and optical properties of organic-inorganic exciton and polaritons in two-dimensional heterostructures combining both organic and semiconductor materials are studied. In those systems, Wannier-Frenkel hybrid exciton has unique and interesting properties that can improve the efficiency of optical materials. When an organic-semiconductor combined heterostructure is illuminated by high-intensity electromagnetic radiation with the frequency of the photons at or near the resonance frequency of the Wannier-Frenkel exciton, we obtain a macroscopically occupied system of hybrid polaritons. We will theoretically determine electronic structure, energy and dispersion relation of the hybrid excitons and polaritons. By analyzing the parameters of the systems and the interactions between the Wannier and Frenkel excitons and the photons, we then discuss the conditions for hybridization.

cond-mat.mes-hall↗