Publications
Full list of publications including Conference participation is available Here. (extracted from HAL record)
Submitted in 2024!
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, to be submitted
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, Layla Martin Samos, Anne Hémeryck, The Journal of Chemical Physics 161 (2024) 062503 - doi: https://doi.org/10.1063/5.0215689
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 - IEEE TNS 2024 71 (2024) 1461-1469 - doi: 10.1109/TNS.2024.3380674
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, The Journal of Chemical Physics 160 (2024) 232501 - doi: https://doi.org/10.1063/5.0210097
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