Publications
Full list of publications including Conference participation is available Here. (extracted from HAL record)
Submitted in 2024!
SOFI: Finding point group symmetries in atomic clusters as finding the set of degenerate solutions in a shape-matching problem - Miha Gunde, Luca Grisanti, Nicolas Salles, Anne Hémeryck, Layla Martin Samos, submitted in Journal of Chemical Information and Modeling
Exploring potential energy surfaces to reach saddle points above convex regions - Miha Gunde, Antoine Jay, Matic Poberznik, Nicolas Salles, Nicolas Richard, Georges Landa, Normand Mousseau, Layla Martin Samos, Anne Hémeryck, submitted in Journal of Chemical Physics
The DFT+α method to open band gaps: germanium case - Abdulgaffar Abdurrazaq, Ruggero Lot, Gabriela Herrero Saboya, Antoine Jay, Nicolas Richard, Layla Martin Samos, Stefano De Gironcoli, Anne Hémeryck, submitted in Physical Review Letters
2024
Comparative study of collision cascades and resulting displacement damage in GaN, Si and Ge - Julien Parize, Thomas Jarrin, Damien Lambert, Antoine Jay, Valentin Morin, Anne Hemeryck and Nicolas Richard - accepted IEEE TNS 2024
2023
Growth modes of BiSb on GaAs (001) versus (111)A surfaces: experimental and theoretical study - Dima Sadek, Antoine Jay, Jihan El Hila, Rémi Démoulin, Fuccio Cristiano, Sébastien Plissard, Anne Hémeryck - Applied Surface Science 622 (2023) 156688 - doi: 10.1016/j.apsusc.2023.156688
Quantum Modeling of Semiconductors Leakage Currents Induced by Defects - Antoine Jay, Clément Mesnard, Rémi Helleboid, Denis Rideau, Vincent Goiffon, Layla Martin Samos, Nicolas Richard, Anne Hémeryck - SISPAD 2023 - doi: 10.23919/SISPAD57422.2023.10319491
A comprehensive atomistic picture of the as-deposited Ni-Si interface before thermal silicidation process - César Jara Donoso, Antoine Jay, Julien Lam, Jonas Muller, Guilhem Larrieu, Georges Landa, Corrado Bongiorno, Antonino La Magna, Alessandra Alberti, Anne Hémeryck - Applied Surface Science 631 (2023) 157563 - doi: https://doi.org/10.1016/j.apsusc.2023.157563
HCHO Sensing Mechanism of In4Sn3O12 revealed by DRIFTS and DFT - Tingqiang Yang, Anne Hemeryck, Suman Pokhrel, Wen Chen, Nicolae Barsan - The Journal of Physical Chemistry - C 127 (2023) 10499–10507 - doi: https://doi.org/10.1021/acs.jpcc.3c00686
Neutron displacement damage cross section in GaN: evaluations and consequences - Damien Lambert, Julien Parize, Nicolas Richard, Mélanie Raine, Olivier Duhamel, Claude Marcandella, Arthur Losquin, Neil Rostand, Anne Hémeryck, Christophe Inguimbert, Philippe Paillet - IEEE Transactions on Nuclear Science 70 (2023) 1870 - 1877 - doi: 10.1109/TNS.2023.3265463
Deep levels and Electron Paramagnetic Resonance parameters of substitutional nitrogen in silicon from first-principles - Chloé Simha, Luigi Giacomazzi, Gabriela Herrero Saboya, Layla Martin Samos, Anne Hemeryck, Nicolas Richard, Nanomaterials 13(14)(2023) 2123; doi: https://doi.org/10.3390/nano13142123
pARTn: a plugin implementation of the Activation Relaxation Technique nouveau that takes over the FIRE minimization algorithm - Matic Poberznik, Miha Gunde, Nicolas Salles, Antoine Jay, Anne Hémeryck, Nicolas Richard, Normand Mousseau, Layla Martin-Samos - Computer Physics Communication 295 (2024), 108961, doi: https://doi.org/10.1016/j.cpc.2023.108961
Simulation multiéchelle pour la microélectronique sous irradiation - Nicolas Richard, Damien Lambert, N. Rostand, J. Lomonaco, Julien Parize, G. Charbonnier, Thomas Jarrin, Chloé Simha, Mélanie Raine (CEA-DAM), Arnaud Bournel (C2N), Christophe Inguimbert (Onera), Anne Hémeryck, Antoine Jay (LAAS-CNRS), Layla Martin-Samos, Gabriela Herrero Saboya (CNR) - rticle de vulgarisation CHOCS numéro 53 CEA - novembre 2023.
Caractériser les cinétiques des diffusions atomiques avec la technique d’activation relaxation - Antoine Jay, Normand Mousseau, Nicolas Salles, Miha Gunde, Matic Poberznik, Marie Brut, Nicolas Richard, Layla Martin Samos, Anne Hemeryck - Techniques de l'Ingénieur RE-192 - 2023
2022
Prediction of the evolution of defects induced by the heated implantation process: Contribution of kinetic Monte Carlo in a multi-scale modeling framework - Pierre-Louis Julliard, Anna Johnsson, Nik Zographos, Rémi Démoulin, Richard Monflier, Antoine Jay, Oussama Er-Riyahi, Frédéric Monsieur, Sylvain Joblot, Frédéric Deprat, Denis Rideau, Peter Pichler, Anne Hémeryck et Fuccio Cristiano, Solid State Electronics (2022) - doi : 10.1016/j.sse.2022.108521
Prediction of the evolution of defects induced by the heated implantation process: Contribution of kinetic Monte Carlo in a multi-scale modeling framework - Pierre-Louis Julliard, Anna Johnsson, Nik Zographos, Rémi Démoulin, Richard Monflier, Antoine Jay, Oussama Er-Riyahi, Frédéric Monsieur, Sylvain Joblot, Frédéric Deprat, Denis Rideau, Peter Pichler, Anne Hémeryck et Fuccio Cristiano, 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (2022)
Activation-Relaxation Technique: an efficient way to find minima and saddle points of potential energy surfaces - Antoine Jay, Miha Gunde, Nicolas Salles, Matic Poberznik, Layla Martin-Samos, Nicolas Richard, Stefano de Gironcoli, Normand Mousseau, Anne Hémeryck, Computational Materials Sciences 209 (2022) 111363 - doi : 10.1016/j.commatsci.2022.111363
Iterative Rotations and Assignments (IRA): a shape matching algorithm for atomic structures - Miha Gunde, Nicolas Salles, Anne Hémeryck, Layla Martin Samos - Software Impacts 12 (2022) 100264 - doi: https://doi.org/10.1016/j.simpa.2022.100264
Common defects in diamond lattices as instances of the general T x (e + t2) Jahn-Teller effect - Gabriela Herrero Saboya, Layla Martin Samos, Nicolas Richard, Anne Hemeryck - Physical Review Materials 6 (2022) 034601 - doi: 10.1103/PhysRevMaterials.6.034601
Density Functional investigation on Alpha-MoO3 (100): Amines adsorption and surface chemistry - Tingqiang Yang, Shuang Yang, Wei Jin, Yule Zhang, Nicolae Barsan, Anne Hemeryck, Swelm Wageh, Ahmed Al-Ghamdi, Yueli Liu, Jing Zhou, Wen Chen, Han Zhang - ACS Sensors 7 (2022) 1213–1221 - doi : 10.1021/acssensors.2c00352
Enhancing DFT-based energy landscape exploration by coupling Quantum Mechanics and Static Modes - Lionel Foulon, Anne Hémeryck, Georges Landa, Marie Brut - Physical Chemistry Chemical Physics 24 (2022) 12011 - doi : 10.1039/D1CP03562B
2021
IRA: A shape matching approach for recognition and comparison of generic atomic patterns - Miha Gunde, Nicolas Salles, Anne Hémeryck, Layla Martin-Samos - Journal of Chemical Information and Modeling 61 (2021) 11, pp. 5446–5457 - doi : 10.1021/acs.jcim.1c00567 - <hal-03406717>
Integration of electronic effects into molecular dynamics simulations of collision cascades in silicon from first-principles calculations - Thomas Jarrin, Nicolas Richard, Johannes Teunissen, Fabiana Da Pieve, Anne Hemeryck - Physical Review B 104 (2021) 195203 - doi: 10.1103/PhysRevB.104.195203
Developing a Neural Network Potential to Investigate Interface Phenomena in Solid Phase Epitaxy - Ruggero Lot, Layla Martin-Samos, Stefano De Gironcoli, Anne Hémeryck - 2021 IEEE 16th Nanotechnology Materials and Devices Conference (NMDC) (2021) pp. 1-5 - doi: 10.1109/NMDC50713.2021.9677541
Kinetic Monte Carlo for Process Simulation : First Principles Calibrated Parameters for BO2 Complex - Pierre-Louis Julliard, Antoine Jay, Miha Gunde, Nicolas Salles, Frédéric Monsieur, T. Cabout, Nicolas Guitard, Layla Martin-Samos, Denis Rideau, Fuccio Cristiano, Anne Hémeryck - 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (2021) pp. 219-223 - doi: 10.1109/SISPAD54002.2021.9592580
Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study - Antoine Jay, Denis Rideau, Fuccio Cristiano, Pierre-Louis Julliard, Vincent Goiffon, Alexandre Le Roch, Nicolas Richard, Layla Martin-Samos, Stefano De Gironcoli, Anne Hémeryck - 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD) (2021) pp. 128-132 - doi: 10.1109/SISPAD54002.2021.9592553
Junction Leakage Random Telegraph Signals in Arrays of MOSFETs - Hugo Dewitte, Alexandre Le Roch, Antoine Jay, Serena Rizzolo, Markus Jech, Anne Hemeryck, Philippe Paillet, Vincent Goiffon - IEEE Electron Device Letters 42 (2021) 11, pp. 1650-1653, - doi: 10.1109/LED.2021.3112296
Coping with the stochasticity of collision cascades in Molecular Dynamics simulations - Thomas Jarrin, Antoine Jay, Nicolas Richard, Anne Hémeryck - Nuclear Inst. and Methods in Physics Research B 500-501 (2021) 1-9 - doi: 10.1016/j.nimb.2021.02.015
2020
Finding reaction pathways and transition states: r-ARTn and d-ARTn as an efficient and versatile alternative to string approaches - Antoine Jay, Christophe Huet, Nicolas Salles, Miha Gunde, Layla Martin-Samos, Nicolas Richard, Georges Landa, Vincent Goiffon, Stefano De Gironcoli, Anne Hémeryck, Normand Mousseau - Journal of Chemical Theory and Computation 16 (2020) 6726-6734 - doi: 10.1021/acs.jctc.0c00541 - ON COVER
Parametric study of the two-temperature model for Molecular Dynamics simulations of collisions cascades in Si and Ge - Thomas Jarrin, Antoine Jay, Anne Hémeryck, Nicolas Richard - Nuclear Inst. and Methods in Physics Research B 485 (2020) 1-9 - doi: 10.1016/j.nimb.2020.09.025
Thermal water splitting on the WO3 surface - experimental proof - Anna Staerz, Arne Kobald, Tamara Russ, Udo Weimar, Anne Hémeryck, Nicolae Barsan - ACS Applied Electronic Materials 2 (2020) 3254–3262 - doi : 10.1021/acsaelm.0c00577
A comprehensive theoretical picture of E centers in silicon: from optical properties to vacancy-mediated dopant diffusion - Gabriela Herrero Saboya, Layla Martin Samos, Antoine Jay, Anne Hémeryck, Nicolas Richard, Journal of Applied Physics 127 (2020) 085703 - doi: 10.1063/1.5140724 - <hal-02492335>
Simulation of Single Particle Displacement Damage in Si1-xGex alloys – Interaction of Primary Particles with the Material and Generation of the Damage Structure - Thomas Jarrin, Antoine Jay, Mélanie Raine, Normand Mousseau, Anne Hémeryck, Nicolas Richard, IEEE Transactions on Nuclear Science 67 (2020) 1273-1283 - doi: 10.1109/TNS.2020.2970488
Collective dipole effects in Ionic Transport under electric fields - Nicolas Salles, Layla Martin Samos, Stefano de Gironcoli, Luigi Giacomazzi, M. Valant, Anne Hémeryck, Philippe Blaise, Benoit Sklénard, Nicolas Richard - Nature Communications 11 (2020) 3330 - doi: 10.1038/s41467-020-17173-w
Implant heating contribution to amorphous layer formation: A KMC approach - Pierre-Louis Julliard, Paul Dumas, Frédéric Monsieur, Denis Rideau, Anne Hemeryck, Fuccio Cristiano, () , doi: 10.23919/SISPAD49475.2020.9241608
2019
(Book Chapter) - Alexandru Oprea, David Degler, Nicolae Barsan, Anne Hémeryck, Julia Rebholz. Basics of semiconducting metal oxide–based gas sensors. Gas Sensors Based on Conducting Metal Oxides, Elsevier, pp.61-165, 2019 - doi: 10.1016/B978-0-12-811224-3.00003-2
Insight of Surfaces Treatments for CMOS Compatibility of InAs Nanowires - Daya Dhungana, Anne Hemeryck, Nicolo Sartori, Pier-Francesco Fazzini, Fuccio Cristiano, Sébastien Plissard - Nano Research 12 (2019) 581–586 - doi: doi.org/10.1007/s12274-018-2257-8
Defect creation and diffusion under electric fields from first-principles: the prototypical case of silicon dioxide - Nicolas Salles, Layla Martin Samos, Stefano de Gironcoli, Luigi Giacomazzi, M. Valant, Anne Hémeryck, Philippe Blaise, Benoit Sklénard, Nicolas Richard - Conference paper - 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Sept 2019, Udine, Italy. pp.1-4 - doi: 10.1109/SISPAD.2019.8870555
Electronic and structural properties of interstitial titanium in crystalline silicon from first-principles simulations - Gabriela Herrero-Saboya, Layla Martin-Samos, Anne Hémeryck, Denis Rideau, Nicolas Richard - Conference paper - 2019 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), Sep 2019, Udine, Italy. pp.1-4. doi: 10.1109/SISPAD.2019.8870382
Simulation of Single Particle Displacement Damage in Si1-xGex alloys – Interaction of Primary Particles with the Material and Generation of the Damage Structure - Thomas Jarrin, Antoine Jay, Mélanie Raine, Normand Mousseau, Anne Hémeryck, Nicolas Richard - Conference paper - 2019 European Conference on Radiation and its Effects on Components and Systems (RADECS), Sept 2019, Montpellier, France. pp.1-9. (available on request)
2018
Water distribution within wild type NRas protein and Q61 mutants during unrestrained QM/MM dynamics - Ruth Tichauer, Gilles Favre, Stéphanie Cabantous, Georges Landa, Anne Hémeryck, Marie Brut - Biophysical Journal 115 (2018) 1417-1430 - doi: 10.1016/j.bpj.2018.07.042
Insight into the Bonding of Silanols to Oxidized Aluminum Surfaces - Matic Poberznik, Dominique Costa, Anne Hemeryck, Anton Kokalj - The Journal of Physical Chemistry C 122 (2018) 9417 - doi: 10.1021/acs.jpcc.7b12552
Simulation of Single Particle Displacement Damage in Silicon – Part III: Generation and Long-Time Relaxation of Damage Structure - Antoine Jay, Anne Hémeryck, Nicolas Richard, Layla Martin Samos, Mélanie Raine, Alexandre Le Roch, Normand Mousseau, Vincent Goiffon, Philippe Paillet, Marc Gaillardin, Pierre Magnan - IEEE Transactions on Nuclear Science 65 (2018) 724-731- doi: 10.1109/TNS.2018.2790843
Growth stability and decomposition of Mg2Si ultra-thin films on Si(100) - Brice Sarpi, Rachid Zirmi, Magali Putero, Mohammed Bouslama, Anne Hemeryck, Sébastien Vizzini, Applied Surface Science 427 (2018) 522 - doi: 10.1016/j.apsusc.2017.09.027
2017
MgO monolayer epitaxy on Ni(100) - Brice Sarpi, Magali Putero, Anne Hemeryck, Sébastien Vizzini, accepted in Applied Physics Letters 111 (2017) 211604 - doi: https://doi.org/10.1063/1.5000119
Ambient humidity influence of CO detection with SnO2 gas sensing materials - a DRIFTS/DFT investigation - Susanne Wicker, Mathilde Guiltat, Udo Weimar, Anne Hemeryck, Nicolae Barsan, Journal of Physical Chemistry C 121 (2017) 25064–25073 - doi: 10.1021/acs.jpcc.7b06253
Strain-driven diffusion process during silicon oxidation investigated by coupling Density Functional Theory and Activation Relaxation Technique - Nicolas Salles, Nicolas Richard, Normand Mousseau and Anne Hemeryck, Journal of Chemical Physics 147 (2017) 054701 - doi: 10.1063/1.4996206
DFT-D Study of Adsorption of Diaminoethane and Propylamine Molecules on TiO2-Anatase (101) Surface - Anne Hemeryck, Alessandro Motta, Corinne Lacaze-Dufaure, Dominique Costa and Philippe Marcus, Applied Surface Science 426 (2017) 107-115 - doi: 10.1016/j.apsusc.2017.07.161
Modeling Of The Interface Formation During CuO Deposition On Al(111) Substrate: Linking Material Design and Elaboration Process Parameters Through Multi-Levels Approach - Mathilde Guiltat, Nicolas Salles, Marie Brut, Georges Landa,Nicolas Richard, Sébastien Vizzini, Anne Hémeryck - Modelling and Simulation in Materials Science and Engineering 25 (2017) 064005 - Proceedings of MMM 2016 - doi: 10.1088/1361-651X/aa7bbc
Dioxygen molecule adsorption and oxygen atom diffusion on clean and defective Aluminum (111) surface using first principles calculations - Mathilde Guiltat, Marie Brut, Sébastien Vizzini, Anne Hémeryck - Surface Science 657 (2017) 79-89 - doi: 10.1016/j.susc.2016.11.010
Simulation of Single Particle Displacement Damage in Silicon – Part II: Generation and Long-Time Relaxation of Damage Structure - Antoine Jay, Mélanie Raine, Nicolas Richard, Normand Mousseau, Vincent Goiffon, Anne Hémeryck, Pierre Magnan - IEEE Transactions on Nuclear Science 64 (2017) 141-148 - doi: 10.1109/TNS.2016.2628089
2016
A perfect wetting of Mg monolayer on Ag(111) under atomic scale investigation: first principles calculations, scanning tunneling microscopy and Auger spectroscopy - Amani Migaou, Brice Sarpi, Mathilde Guiltat, Kevin Payen, Rachid Daineche, Georges Landa, Sébastien Vizzini, Anne Hémeryck - The Journal of Chemical Physics 144 (2016) 194708 - doi: 10.1063/1.4949764
Ultra-thin MgO(111)-polar sheets grown onto Ag(111) - Brice Sarpi, Rachid Daineche, Christophe Girardeaux, Anne Hemeryck, Sébastien Vizzini - Applied Surface Science 361 (2016) 259 - doi: 10.1016/j.apsusc.2015.11.176
2015
Role of Alumina Coatings for Selective and Controlled Bonding of DNA on Technologically Relevant Oxide Surfaces - Théo Calais, Benoit Playe, Jean-Marie Ducéré, J.-F. Veyan, Sarah Rupich, Anne Hemeryck, Mehdi Djafari Rouhani, Carole Rossi, Yves Chabal, Alain Esteve - The Journal of Physical Chemistry C 119 (2015) 23527 - doi: 10.1021/acs.jpcc.5b06820
Oxidation of Mg atomic monolayer onto silicon: A road toward MgOx/Mg2Si (11–1)/Si (100) heterostructure - Brice Sarpi, N. Rochdi, Rachid Daineche, Maxime Bertoglio, Christophe Girardeaux, A. Baronnet, J. Perrin-Toinin, M. Bocquet, Mehdi Djafari-Rouhani, Anne Hemeryck, Sébastien Vizzini - Surface Science 642 (2015) L1 - doi: 10.1016/j.susc.2015.08.003
Surface-interface exploration of Mg deposited on Si(100) and oxidation effect on interfacial layer - Brice Sarpi, Rachid Daineche, Chirstophe Girardeaux, Maxime Bertoglio, F. Derivaux, Jean-Paul Biberian, Anne Hemeryck, Sébastien Vizzini - Applied Physics Letters 106 (2015) 021604 - doi: 10.1063/1.4905592
2014
Elementary surface chemistry during CuO/Al nanothermites synthesis: copper and oxygen deposition on aluminium (111) surfaces - Cloé Lanthony, Mathilde Guiltat, Jean-Marie Ducéré, Agnès Verdier, Anne Hémeryck, Mehdi Djafari-Rouhani, Carole Rossi, Yves J. Chabal, Alain Estève - ACS Applied Materials & Interfaces 6 (2014) 15086 - doi: 10.1021/am503126k
Nanoindentation of NiAl and Ni3Al crystals on (100), (110), and (111) surfaces: a molecular dynamics study - Rich Seymour, Anne Hémeryck, Ken ichi Nomura, W. Wang, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta - Applied Physics Letters 104 (2014) 141904 - doi: 10.1063/1.4867168
2013
Bottom-up modeling of Al/Ni multilayer combustion: effect of intermixing and role of vacancy defects on the ignition process - Anne Hémeryck, Jean-Marie Ducéré, Cloé Lanthony, Alain Estève, Carole Rossi, Mehdi Djafari Rouhani, Daniel Estève - Journal of Applied Physics 113 (2013) 204301 - doi: 10.1063/1.4807164
Diaminoethane adsorption and water substitution on hydrated TiO2: a thermochemical study based on first-principles calculations - Anne Hémeryck, Alessandro Motta, C. Pereira Nabais, J. Swiatowska, Philippe Marcus, Dominique Costa - Physical Chemistry Chemical Physics 15 (2013) 10824 - doi: 10.1039/c3cp44498h
2012
Oxidation of Germanium and Silicon Surfaces (100): a comparative study through DFT methodology - Cédric Mastail, I. Bourennane, Alain Estève, Geroges Landa, Mehdi Djafari Rouhani, Nicolas Richard, Anne Hémeryck - IOP Conference Series: Materials Science and Engineering 41 (2012) 012007 - doi: 10.1088/1757-899X/41/1/012007
On the early stage of aluminum oxidation: An extraction mechanism via oxygen cooperation - Cloé Lanthony, Jean-Marie Ducéré, Mehdi Djafari Rouhani, Anne Hémeryck, Alain Estève, Carole Rossi - Journal of Chemical Physics 137 (2012) 094707 - doi: 10.1063/1.4746943
A computational chemist approach to gas sensors: Modeling the response of SnO2 to CO, O2 and H2O gases - Jean-Marie Ducéré, Anne Hémeryck, Alain Estève, Mehdi Djafari Rouhani, Georges Landa, Philippe Menini, Cyril Tropis, André Maisonnat, Pierre Fau, Bruno Chaudret - Journal of Computational Chemistry 33 (2012) 247 - doi: 10.1002/jcc.21959
Defect generation during silicon oxidation: a kinetic Monte Carlo study - Anissa Ali Messaoud A. Chikouche, Alain Estève, Anne Hémeryck, Cloé Lanthony, Cédric Mastail, Mehdi Djafari Rouhani, Nicolas Richard - Thin Solid Films 520 (2012) 4734 - doi: 10.1016/j.tsf.2011.10.207
2011
Effects of solvation shells and cluster size on the reaction of aluminium clusters with water - Weiwei Mou, Satoshi Ohmura, Anne Hémeryck, F. Shimojo, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashista - AIP Advances 1 (2011) 042149 - doi: 10.1063/1.3664751
2010
Periodic boundary versus quantum cluster approaches in the simulation of a nanoenergetic model-system: Ni/Al (111) surface reactions - Marine Petrantoni, Anne Hémeryck, Jean-Marie Ducéré, Alain Estève, Carole Rossi, Mehdi Djafari Rouhani, Daniel Estève, Georges Landa - Journal of Physics and Chemistry of Solids 71 (2010) 130 - doi: 10.1016/j.jpcs.2009.08.010
A mesoscopic model of the intermixing during nanoenergetic materials processing - Anne Hémeryck, Marine Petrantoni, Alain Estève, Carole Rossi, Mehdi Djafari Rouhani, Daniel Estève, Georges Landa - Journal of Physics and Chemistry of Solids 71 (2010) 125 - doi: 10.1016/j.jpcs.2009.07.019
Asymmetric diffusion as a key mechanism in Ni/Al energetic multilayer processing - Marine Petrantoni, Anne Hémeryck, Jean-Marie Ducéré, Alain Estève, Carole Rossi, Mehdi Djafari Rouhani, Daniel Estève, Georges Landa - Journal of Vacuum Science & Technology A: Vacuum Surfaces and Films 28 (2010) L15 - doi: 10.1116/1.3491182
2009
Evidence of the non reactivity of Ge during the initial stage of SiGe oxidation - Ahmed Dkhissi, Arun K. Upadhyay, Anne Hémeryck, Alain Estève, Georges Landa, Mehdi Djafari Rouhani - Applied Physics Letters 94 (2009) 041912 - doi: 10.1063/1.3076092
Fundamental steps towards interface amorphization during silicon oxidation - Anne Hémeryck, Alain Estève, Nicolas Richard, Medhi Djafari Rouhani, Yves J. Chabal - Physical Review B 79 (2009) 035317 - doi: 10.1103/PhysRevB.79.035317
A kinetic Monte Carlo study of the initial stage of silicon oxidation: basic mechanisms-induced partial ordering of the oxide interfacial layer - Anne Hémeryck, Alain Estève, Nicolas Richard, Mehdi Djafari Rouhani, Georges Landa - Surface Science 603 (2009) 2132 - doi: 10.1016/j.susc.2009.04.014
Logiciel Hikad : modéliser l’organisation atomique durant la croissance de HfO2 sur silicium - Alain Estève, Mehdi Djafari Rouhani, Ahmed Dkhissi, Cédric Mastail, Georges Landa, Anne Hémeryck, Nicolas Richard - Les Techniques de l’Ingénieur RE123 (2009)
Étude ab initio des premières étapes de l’oxydation du silicium - Anne Hémeryck, Alain Estève, Nicolas Richard, Mehdi Djafari Rouhani and Yves J. Chabal - Chocs Avancées (2009) 24
2007
Difficulty for oxygen to incorporate into the silicon network during initial O2 oxidation of Si(100)-(2x1) - Anne Hémeryck, Andrew Mayne, Nicolas Richard, Alain Estève, Yves J. Chabal, Mehdi Djafari Rouhani, Gérald Dujardin, Geneviève Comtet - Journal of Chemical Physics 126 (2007) 114707 - doi: 10.1063/1.2566299
Diffusion of oxygen atom in the topmost layer of the Si(100) surface: Structures and oxidation kinetics - Anne Hémeryck, Nicolas Richard, Alain Estève, Mehdi Djafari Rouhani - Surface Science 601 (2007) 2339 - doi : 10.1016/j.susc.2007.03.038
Active oxidation: silicon etching and oxide decomposition basic mechanisms using Density Functional Theory - Anne Hémeryck, Nicolas Richard, Alain Estève, Mehdi Djafari Rouhani - Surface Science 601 (2007) 2082 - doi : 10.1016/j.susc.2007.03.008
Multi-scale modeling of oxygen molecule adsorption on a Si(100)-p(2x2) surface - Anne Hémeryck, Nicolas Richard, Alain Estève, Mehdi Djafari Rouhani - Journal of Non-Crystalline Solids 353 (2007) 594
Oxidation of silicon: how to deal with a Kinetic Monte Carlo approach - Anissa Ali Messaoud, Anne Hémeryck, Alain Estève, Mehdi Djafari Rouhani, Georges Landa - Material Research Society Symposium Proceedings 996 (2007)
2006
Synthesis, Structural Studies, Theoretical Calculations, and Linear and Nonlinear Optical Properties of Terpyridyl Lanthanide Complexes: New Evidence for the Contribution of f Electrons to the NLO Activity - K. Sénéchal-David, Anne Hemeryck, N. Tancrez, L. Toupet, J.A.G. Williams, I. Ledoux, J. Zyss, Abdou Boucekkine, J.-P. Guégan, H. Le Bozec, Olivier Maury - Journal of the American Chemical Society 128 (2006) 12243-12255 - doi: 10.1021/ja063586j