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PsD-DRT-16-0009

Published on 7 December 2023
PsD-DRT-16-0009
Research FieldSolid state physics, surfaces and interfaces

Domaine-SElectronics and microelectronics - Optoelectronics

ThemeCondensed matter physics, chemistry & nanosciences

Theme-SEngineering sciences

Domaine
Solid state physics, surfaces and interfaces Condensed matter physics, chemistry & nanosciences Electronics and microelectronics - Optoelectronics Engineering sciences DRT DCOS SCCS LSM Grenoble
Title
Electric field and ab initio simulations, application to RRAM
Abstract
Since several years, LETI/DCOS is engaged in a simulation effort of microscopic phenomena at the heart of oxide-based RRAM operation (made of HfO2, Ta2O5, Al2O3). The correct description of an external electric field applied to a MIM device (Metal-Insulator-Metal) is now possible thanks to two methods one by an orbital separation approach [1] the other by using the non equilibrium green function formalism [2]. In this work, we propose to develop and to handle these methods by combining already existing simulation approaches. The main goal is to study the degradation mechanisms of an oxide by following the oxygen atoms movements coupled directly to the applied external electric field. These mechanisms are not known and this study will support the optimization and characterization efforts already engaged at LETI on RRAM functional prototypes. The targeted simulations tools are SIESTA for the DFT part, and TB_SIM for the electronic transport part. [1] S. Kasamatsu et al., « First principle calculation of charged capacitors under open-circuit using the orbital separation approach, PRB 92, 115124 (2015) [2] M. Brandbyge et al., « Density functional method for nonequilibrium electron transport », PRB 65, 165401 (2002)
Location
Département Composants Silicium (LETI) Service Caractérisation, Conception et Simulation Laboratoire de Simulation et Modélisation
Pcontact
BLAISE Philippe CEA DRT/DCOS//LSM CEA/Grenoble 0438784894
Start date1/1/2016
Contact personphilippe.blaise@cea.fr

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