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Many body correlations in ab initio simulations of electronic quantum transport : an application to advanced generation OxRAM devices

Abstract : Resistive non-volatile memories based on oxides (OxRAM) are recently acquiring a wide interest for their performances, which make them promising candidates as storage memories to replace flash technology, and as embedded memories for neural network applications. Nevertheless, emerging OxRAM devices still present some drawbacks, like non-uniformity of switching parameters and switching failures. Overcoming these drawbacks requires a deeper comprehension of the OxRAM working principles, so far not completely understood. This can be achieved by means of textit{ab initio} simulations. Hence this work presents a careful characterization of HfO₂, which is within the most promising materials to build OxRAM devices, by means of accurate quasi-particle (QP) calculations. A study of the electronic transport properties in OxRAM devices is also of primary importance. However, this requires a robust and reliable theoretical framework to compute the conductance of bulk metal/insulator junctions. The standard approach, based on density functional theory, Green function formalism, and Landauer formula, has some limitations and reliability issues. This work proposes a more reliable approach based on QP calculations, which provide a more accurate electronic structure to compute the conductance, and largely tests this new method on different junctions mimicking OxRAM devices.
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Alberto Dragoni. Many body correlations in ab initio simulations of electronic quantum transport : an application to advanced generation OxRAM devices. Condensed Matter [cond-mat]. Université Grenoble Alpes, 2019. English. ⟨NNT : 2019GREAY039⟩. ⟨tel-02491998⟩

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