arXiv subjects

Charles Cornet

Publications and source records attributed to Charles Cornet.

8 recordsLinked to original sources

arXiv2026

The impact of interfacial chemistry on the band offset of GaAs/Ga$_2$O$_3$ heterostructures

Ga$_2$O$_3$/GaAs heterojunctions are emerging as promising candidates for next-generation power electronics, photonics, and energy devices, leveraging the high breakdown voltage and thermal stability of Ga$_2$O$_3$ alongside the mature technology, high hole mobility, and higher refractive index of GaAs. The efficiency of these devices depends strongly on the band alignment between the two materials, however both type-I and type-II alignment have been reported in the literature for these heterostructures. To address this ambiguity, we use hybrid density functional theory to systematically investigate the band alignment at GaAs/Ga$_2$O$_3$ interfaces, focusing on the role of interface chemistry. By considering Ga-O-, As-, and As-O-rich interfaces both in amorphous and crystalline Ga$_2$O$_3$ phases, we demonstrate that interface stoichiometry determines the alignment type: Ga-O-rich interfaces exhibit type-II alignment with large valence band offsets (~3.1 eV), while As-rich and As-O-rich interfaces favor type-I alignment with reduced offsets (~2.3-2.6 eV). These trends are attributed to interface dipole formation driven by bonding configuration. Our findings provide insight into the relationship between chemistry and band alignment in GaAs/Ga$_2$O$_3$ heterostructures, enabling targeted optimization for specific device applications.

cond-mat.mtrl-sci↗

arXiv2026

Direct Orientation Contrast Imaging of Anti-Phase Domains on III-V Materials Using Scanning Electron Microscopy

Direct orientation contrast imaging of zinc-blende III-V materials is studied using scanning electron microscopy. A quantitative approach is taken using a 3 {\mu}m thick orientation-patterned GaP grown on GaAs sample, studying the anti-phase domain contrast with respect to the electron beam energy and the tilt angle. A qualitative approach is taken for III-V grown on non-polar materials with and without chemical mechanical polishing. Finally, a processing of the acquired image for GaP on Si reveals in plane preferential anti-phase boundaries.

cond-mat.mtrl-sci↗

arXiv2025

Second harmonic generation in polycrystalline ZnS nanowaveguides

We report the realization of Zinc Sulfide (ZnS) nanowaveguides and the experimental observation of second harmonic generation (SHG) in such structures, demonstrating their potential for integrated nonlinear photonics. ZnS thin films were deposited via RF magnetron sputtering and characterized using atomic force microscopy (AFM), scanning electron microscopy (SEM), X-ray diffraction (XRD), and ellipsometry. The nonlinear optical properties of these films were theoretically analyzed to assess their suitability for second-order nonlinear processes. We detail the fabrication and optical characterization of ZnS nanowaveguides, leading to the experimental observation of SHG in such structures. These findings establish ZnS as a promising platform for nonlinear photonic applications, particularly in compact and integrated frequency conversion devices. This work represents a significant step toward expanding the scope of wide bandgap semiconductors in advanced photonic technologies.

physics.optics↗

arXiv2025

Full ab initio atomistic approach for morphology prediction of hetero-integrated crystals: A confrontation with experiments

Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material. This method uses both reconstructed surface and interface absolute energies, as determined by density functional theory, to infer the morphology and wetting properties of Volmer-Weber islands over the whole range of accessible chemical potentials. The predicted equilibrium shapes of GaP crystals heterogeneously grown on Si, are found to be in good agreements with experimental observations performed by Transmission Electron Microscopy. Such method provides a tool for optimization of hetero-structured, multifunctional and smart materials and devices.

cond-mat.mtrl-sci↗

arXiv2025

Efficient absolute interface energy calculations for heterostructures: Synergy between localized basis sets and surface passivation techniques

Heterostructures combining diverse physico-chemical properties are increasingly in demand for a wide range of applications in modern science and technology. However, despite their importance in materials science, accurately determining absolute interface energies remains a major challenge. Here, we present a computationally efficient framework for determining interface energies by incorporating a surface passivation technique, demonstrated using pseudo H passivation with a localized basis set method and an explicit chemical potential. This framework is applied to calculate absolute interface energies and analyze the electronic properties of quasi lattice matched and lattice mismatched III and V on Si interfaces, with results compared to conventional reconstructed surface calculations. By combining localized basis sets with surface passivation techniques, this framework allows for accurate estimation of absolute interface energies in heterogeneous material systems. This approach effectively addresses issues associated with surface reconstructions while significantly reducing computational costs within the framework of density functional theory, and moreover offers considerable potential for calculating interface energies across diverse material systems.

cond-mat.mtrl-sci↗

arXiv2025

Computational assessment of non-polar and polar GaP terminations for photoelectrochemical water splitting

With photoelectrochemical water splitting being one of the most promising approaches for clean energy production and storage, the search for efficient photoelectrode materials is greater than ever. Gallium phosphide (GaP) is a well-established semiconductor with suitable band edge positions that has already been successfully employed in photoelectrochemical solar cells. However, to utilize it as efficiently as possible, a proper understanding of its properties when interfaced with water is required, and this is currently lacking. In this work we use ab initio molecular dynamics simulations to study the properties of the aqueous interfaces of various GaP non-polar (110) and polar (001) terminations. We calculate their band alignment with respect to the standard hydrogen electrode potential and investigate their interfacial structural properties. Based on these properties we assess the capability of the various terminations to catalyze the reactions associated with water splitting and propose approaches for improving the performance of GaP for application in PECs.

cond-mat.mtrl-sci↗

arXiv2024

High efficiency second harmonic generation in transverse orientation patterned gallium phosphide waveguides

Achieving high conversion efficiencies in second-order nonlinear optical processes is a key challenge in integrated photonics for both classical and quantum applications. This paper presents the first demonstration of Transverse Orientation-Patterned gallium phosphide (TOP-GaP) waveguides showing high-efficiency second harmonic generation. In such devices, first order modal phase matching is unlocked and optimized through the inversion of the nonlinear susceptibility along the vertical direction. We discuss here the theory behind modal phase matching in TOP structures, describe the fabrication process, and present linear and nonlinear characterizations of the TOP-GaP waveguides.

physics.optics↗

arXiv2020

Assessment of GaPSb/Si tandem material association properties for photoelectrochemical cells

Here, the structural, electronic and optical properties of the GaP1-xSbx/Si tandem materials association are determined in view of its use for solar water splitting applications. The GaPSb crystalline layer is grown on Si by Molecular Beam Epitaxy with different Sb contents. The bandgap value and bandgap type of GaPSb alloy are determined on the whole Sb range, by combining experimental absorption measurements with tight binding (TB) theoretical calculations. The indirect (X-band) to direct ({\Gamma}-band) cross-over is found to occur at 30% Sb content. Especially, at a Sb content of 32%, the GaP1-xSbx alloy reaches the desired 1.7eV direct bandgap, enabling efficient sunlight absorption, that can be ideally combined with the Si 1.1 eV bandgap. Moreover, the band alignment of GaP1-xSbx alloys and Si with respect to water redox potential levels has been analyzed, which shows the GaPSb/Si association is an interesting combination both for the hydrogen evolution and oxygen evolution reactions. These results open new routes for the development of III-V/Si low-cost high-efficiency photoelectrochemical cells.

physics.app-ph↗