arXiv subjects

Julian A. Steele

Publications and source records attributed to Julian A. Steele.

3 recordsLinked to original sources

arXiv2026

A Unified Description of Electron-Phonon Coupling and Ion Migration in Metal Halide Perovskites

The remarkable optoelectronic properties of metal halide perovskites are closely linked to their unusually soft and polar chemical bonds that enable both strong electron-phonon interactions and ion migration. Yet these two defining characteristics have largely been treated as independent consequences of the same underlying chemical bonding. Here we show that they originate from a common electronic-structure framework by developing a general description linking lattice dynamics, electron-phonon coupling, and halide ion migration across representative Pb-based, Sn-based, and double perovskites. Spectrally resolved phonon-mode contributions demonstrate that the low-frequency shearing modes dominate halide migration, whereas high-frequency stretching modes govern carrier scattering through the Fröhlich interaction in all three compositions. We introduce an orbital hybridization descriptor to unify these findings, which connects metal-halide bonding characteristics with the migration barrier energies and Fröhlich coupling strengths, indicating a cooperative evolution of these two properties. These findings provide a generalized microscopic mechanism for simultaneously optimizing charge and ionic transport in soft semiconductors.

cond-mat.mtrl-sci↗

arXiv2025

Superconductivity in Substitutional Ga-Hyperdoped Ge Epitaxial Thin Films

Doping-induced superconductivity in group IV elements may enable quantum functionalities in material systems accessible with well-established semiconductor technologies. Non-equilibrium hyperdoping of group III atoms into C, Si, or Ge can yield superconductivity; however, its origin is obscured by structural disorder and dopant clustering. Here, we report the epitaxial growth of hyperdoped Ga:Ge films and trilayer heterostructures by molecular beam epitaxy with extreme hole concentrations ($n_\textup{h} = 4.15 \times 10^{21}$~cm$^{-3}$, ~17.9\% Ga substitution) that yield superconductivity with a critical temperature of $T_{\textup{c}} = 3.5$~K and an out-of-plane critical field of 1~T at 270~mK. Synchrotron-based X-ray absorption and scattering methods reveal that Ga dopants are substitutionally incorporated within the Ge lattice, introducing a tetragonal distortion to the crystal unit cell. Our findings, corroborated by first-principles calculations, suggest that the structural order of Ga dopants creates a narrow band for the emergence of superconductivity in Ge, establishing hyperdoped Ga:Ge as a low-disorder, epitaxial superconductor-semiconductor platform.

cond-mat.mes-hall↗

arXiv2021

Texture Formation in Polycrystalline Thin Films of All-Inorganic Lead Halide Perovskite

Controlling grain orientations within polycrystalline all-inorganic halide perovskite solar cells can help increase conversion efficiencies toward their thermodynamic limits, however the forces governing texture formation are ambiguous. Using synchrotron X-ray diffraction, we report meso-structure formation within polycrystalline CsPbI2.85Br0.15 powders as they cool from a high-temperature cubic perovskite (α-phase). Tetragonal distortions (\b{eta}-phase) trigger preferential crystallographic alignment within polycrystalline ensembles, a feature we suggest is coordinated across multiple neighboring grains via interfacial forces that select for certain lattice distortions over others. External anisotropy is then imposed on polycrystalline thin films of orthorhombic (γ-phase) CsPbI3-xBrx perovskite via substrate clamping, revealing two fundamental uniaxial texture formations; (i) I-rich films possess orthorhombic-like texture (<100> out-of-plane; <010> and <001> in-plane), while (ii) Br-rich films form tetragonal-like texture (<110> out-of-plane; <1-10> and <001> in-plane). In contrast to relatively uninfluential factors like the choice of substrate, film thickness and annealing temperature, Br incorporation modifies the γ-CsPbI3-xBrx crystal structure by reducing the orthorhombic lattice distortion (making it more tetragonal-like) and governs the formation of the different, energetically favored textures within polycrystalline thin films.

cond-mat.mtrl-sci↗