Finite-size corrections of defect energy levels involving ionic polarization

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Publications associées (32)

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In this work, we experimentally explore and compare FET gate stacks with and without an inner metal plane between a linear dielectric (SiO2) and a ferroelectric layer (Si-doped HfO2) operating in the negative capacitance (NC) regime. The use of nanosecond- ...

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With the increasing importance of Computational Thinking (CT) at all levels of education, it is essential to have valid and reliable assessments. Currently, there is a lack of such assessments in upper primary school. That is why we present the development ...

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We investigate the density of defects and the degradation rate in InGaN light-emitting diodes having identical dislocation density and epitaxial structure, but different indium content in the quantum well (QW; 12%, 16%, 20%). Our results, based on combined ...

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Atomic design of a 2D-material such as graphene can be substantially influenced by etching, deliberately induced in a transmission electron microscope. It is achieved primarily by overcoming the threshold energy for defect formation by controlling the kine ...

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Electronic nearsightedness is one of the fundamental principles that governs the behavior of condensed matter and supports its description in terms of local entities such as chemical bonds. Locality also underlies the tremendous success of machine-learning ...

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Self-consistent Hubbard parameters from density-functional perturbation theory in the ultrasoft and projector-augmented wave formulations

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The self-consistent evaluation of Hubbard parameters using linear-response theory is crucial for quantitatively predictive calculations based on Hubbard-corrected density-functional theory. Here, we extend a recently introduced approach based on density-fu ...

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Electron-phonon (e-ph) interactions are pervasive in condensed matter, governing phenomena such as transport, superconductivity, charge-density waves, polarons, and metal-insulator transitions. First-principles approaches enable accurate calculations of e- ...

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We unveil the nature of the structural disorder in bottom-up zigzag graphene nanoribbons along with its effect on the magnetism and electronic transport on the basis of scanning probe microscopies and first-principles calculations. We find that edge-missin ...

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