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79 papers · 1 filter
The impact of interfacial chemistry on the band offset of GaAs/GaO heterostructures
Sofia Apergi, Alfredo Pasquarello, Charles Cornet +1
GaO/GaAs heterojunctions are emerging as promising candidates for next-generation power electronics, photonics, and energy devices, leveraging the high breakdown voltage an…
Direct Orientation Contrast Imaging of Anti-Phase Domains on III-V Materials Using Scanning Electron Microscopy
Brieg Le Corre, Clothilde Grenèche, Rozenn Bernard +16
Direct orientation contrast imaging of zinc-blende III-V materials is studied using scanning electron microscopy. A quantitative approach is taken using a 3 μm thick orientation-pa…
Energy level alignment of vacancy-ordered halide double perovskites
Ibrahim Buba Garba, George Volonakis
Vacancy-ordered double perovskites have emerged as lead-free alternatives, offering remarkable stability and compositional tunability for optoelectronic applications. In this study…
Emergent 3D Fermiology and Magnetism in an Intercalated Van der Waals System
Luigi Camerano, Emanuel A. Martínez, Victor Porée +16
Intercalation of magnetic atoms into van der Waals materials provides a versatile platform for tailoring unconventional magnetic properties. However, its impact on electronic dimen…
Local structural disorder in crystalline materials
Marios Zacharias, Jacky Even
Local positional disorder in soft, anharmonic materials has emerged as a central factor in shaping their electronic, vibrational, optical, and transport properties. Viewed mainly a…
Full ab initio atomistic approach for morphology prediction of hetero-integrated crystals: A confrontation with experiments
Sreejith Pallikkara Chandrasekharan, Sofia Apergi, Chen Wei +6
Here, we propose a comprehensive first-principle atomistic approach to predict the Wulff-Kaischew equilibrium shape of crystals heterogeneously integrated on a dissimilar material.…