Modeling Unconventional Nanoscaled Device FABrication

Project Information

MUNDFAB

Grant agreement ID: 871813

DOI 10.3030/871813

Project closed

EC signature date 5 November 2019

Start date 1 January 2020

End date 30 June 2023

Funded under

• INDUSTRIAL LEADERSHIP - Leadership in enabling and industrial technologies - Information and Communication Technologies (ICT)

Total cost € 3 787 988,75

EU contribution € 3 787 988,75

Coordinated by

FRAUNHOFER GESELLSCHAFT ZUR FORDERUNG DER ANGEWANDTEN FORSCHUNG EV
Germany

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Deliverables

Documents, reports (7)

Report on model evaluation

The report describes the results of the model evaluation

Report on the toolchains for the test applications
Specification report for LA calibration: literature review, missing data, experimental plan

The document contans a specification report for LA calibration, i.e. a literature review, missing data, and an experimental plan

User's feedback to the developed models and TCAD toolchain

Report describing the enduser experience with the models and TCAD toolchain developed

Report describing the device architectures and processing of the test applications

The report describes the device architectures and processing of the test applications

Review of experimental and model state-of-the-art

The deliverable presents a review of experimental and model state-of-the-art for epitaxial deposition

Report on the integration of external KMC/LKMC tools into the TCAD toolchain

The report describes the integration of external KMCLKMC tools into the TCAD toolchain

Other (1)

Symposium at the E-MRS Spring Meeting

A symposium will be organized at the EMRS Spring Meeting

Websites, patent fillings, videos etc. (1)

Set-up of the MUNDFAB web site

The MUNDFAB web site is online, an accompanying report describes the MUNDFAB web site

Publications

Peer reviewed articles (28)

Impact of hydrogen coverage on silane adsorption during Si epitaxy from ab initio simulations

Author(s): L. Treps, J. Li, B. Sklénard
Published in: Solid-State Electronics, Issue 197, 2022, Page(s) 108441, ISSN 0038-1101
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.sse.2022.108441

A comprehensive atomistic picture of the as-deposited Ni-Si interface before thermal silicidation process

Author(s): C. Jara Donoso, A. Jay, J. Lam, J. Muller, G. Larrieu, G. Landa, C. Bongiorno, A. La Magna, A. Alberti, A. Hemeryck
Published in: Appl. Surf. Sci., Issue 631, 2023, Page(s) 157563, ISSN 0169-4332
Publisher: Elsevier BV
DOI: 10.1016/j.apsusc.2023.157563

Multiscale atomistic modelling of CVD: From gas-phase reactions to lattice defects

Author(s): D. Raciti, G. Calogero, D. Ricciarelli, R. Anzalone, G. Morale, D. Murabito, I. Deretzis, G. Fisicaro, A. La Magna
Published in: Mater. Sci. Semicond. Proc., Issue 167, 2023, Page(s) 107792, ISSN 1369-8001
Publisher: Pergamon Press
DOI: 10.1016/j.mssp.2023.107792

Efficient Modeling of Charge Trapping at Cryogenic Temperatures-Part I: Theory

Author(s): J. Michl, A. Grill, D. Waldhoer, W. Goes, B. Kaczer, D. Linten, B. Parvais, B. Govoreanu, I. Radu, M. Waltl
Published in: IEEE Trans. Electron Devices, Issue 68(12), 2021, Page(s) 6365-6371, ISSN 1557-9646
Publisher: IEEE
DOI: 10.1109/ted.2021.3116931

Engineering of dense arrays of vertical Si1-xGex nanostructures

Author(s): J. Müller, A. Lecestre, R. Demoulin, F. Cristiano, J.-M. Hartmann, G. Larrieu
Published in: Nanotechnology, Issue 34, 2023, Page(s) 105303, ISSN 1361-6528
Publisher: IOP Publ.
DOI: 10.1088/1361-6528/aca419

Plasmon resonances in silicon nanowires: geometry effects on the trade-off between dielectric and metallic behaviour

Author(s): Giovanni Borgh; Corrado Bongiorno; Antonino La Magna; Giovanni Mannino; Alireza Shabani; Salvatore Patanè; Jost Adam; Rosaria A. Puglisi
Published in: Optical Materials Express, Issue 13(3), 2023, Page(s) 598-609, ISSN 2159-3930
Publisher: Optical Society of America
DOI: 10.1364/ome.475988

Oxygen vacancy and hydrogen in amorphous HfO₂

Author(s): Benoît Sklénard; Lukas Cvitkovich; Dominic Waldhoer; Jing Li
Published in: J. Phys. D, Issue 56, 2023, Page(s) 245301, ISSN 1361-6463
Publisher: Institute of Physics Publishing (IOP)
DOI: 10.1088/1361-6463/acc878

Dynamic modeling of Si(100) thermal oxidation: Oxidation mechanisms and realistic amorphous interface generation

Author(s): L. Cvitkovich, D. Waldhör, A.-M. El-Sayed, M. Jech, C. Wilhelmer, T. Grasser
Published in: Appl. Surf. Sci., Issue 610, 2023, Page(s) 155378, ISSN 0169-4332
Publisher: Elsevier BV
DOI: 10.1016/j.apsusc.2022.155378

Iterative Rotations and Assignments (IRA): A shape matching algorithm for atomic structures

Author(s): M. Gunde, N. Salles, A. Hémeryck, L. Martin-Samos
Published in: Software Impacts, Issue 12, 2022, Page(s) 100264, ISSN 2665-9638
Publisher: Elsevier
DOI: 10.1016/j.simpa.2022.100264

Machine learning interatomic potential for silicon-nitride (Si3N4) by active learning

Author(s): Diego Milardovich; Christoph Wilhelmer; Dominic Waldhoer; Lukas Cvitkovich; Ganesh Sivaraman; Tibor Grasser
Published in: J. Chem. Phys., Issue 158, 2023, Page(s) 194802, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0146753

Atomistic Insights into Ultrafast SiGe Nanoprocessing

Author(s): G. Calogero, D. Raciti, D. Ricciarelli, P. Acosta-Alba, F. Cristiano, R. Daubriac, R. Demoulin, I. Deretzis, G. Fisicaro, J.-M. Hartmann, S. Kerdilès, A. La Magna
Published in: J. Phys. Chem. C, 2023, ISSN 1932-7455
Publisher: American Chemical Society
DOI: 10.1021/acs.jpcc.3c05999

Multiscale modeling of ultrafast melting phenomena

Author(s): Gaetano Calogero; Domenica Raciti; Pablo Acosta-Alba; Fuccio Cristiano; Ioannis Deretzis; Giuseppe Fisicaro; Karim Huet; Sébastien Kerdilès; Alberto Sciuto; Antonino La Magna
Published in: npj Computational Materials, Issue 8, 2022, Page(s) 36, ISSN 2057-3960
Publisher: Nature Publ. Group
DOI: 10.1038/s41524-022-00720-y

Building robust machine learning force fields by composite Gaussian approximation potentials

Author(s): D. Milardovich, D. Waldhoer, M. Jech, A.M. El-Sayed, T. Grasser
Published in: Solid-State Electron., Issue 200, 2023, Page(s) 108529, ISSN 0038-1101
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.sse.2022.108529

Efficient Modeling of Charge Trapping at Cryogenic Temperatures-Part II: Experimental

Author(s): J. Michl, A. Grill, D. Waldhoer, W. Goes, B. Kaczer, D. Linten, B. Parvais, B. Govoreanu, I. Radu, T. Grasser, M. Waltl
Published in: IEEE Trans. Electron Devices, Issue 68(12), 2021, Page(s) 6372-6378, ISSN 1557-9646
Publisher: IEEE
DOI: 10.1109/ted.2021.3117740

Impact of surface reflectivity on the ultra-fast laser melting of silicon-germanium alloys

Author(s): Ricciarelli, Damiano; Mannino, Giovanni; Deretzis, Ioannis; Calogero, Gaetano; Fisicaro, Giuseppe; Daubriac, Richard; Demoulin, Remi; Cristiano, Fuccio; Michalowski, Pawel P.; Acosta-Alba, Pablo; Hartmann, Jean-Michel; Kerdilès, Sébastien; La Magna, Antonino
Published in: Mater. Sci. Semicond. Proc., Issue 165, 2023, Page(s) 107635, ISSN 1369-8001
Publisher: Pergamon Press
DOI: 10.1016/j.mssp.2023.107635

Performance of Vertical Gate-all-around Nanowire p-MOS Transistors Determined by Boron Depletion During Oxidation

Author(s): C. Rossi, A. Burenkov, P. Pichler, E. Bär, J. Müller, G. Larrieu
Published in: Solid-State Electron., Issue 200, 2023, Page(s) 108551, ISSN 0038-1101
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.sse.2022.108551

Phononic transport and simulations of annealing processes in nanometric complex structures

Author(s): Alberto Sciuto, Ioannis Deretzis, Giuseppe Fisicaro, Salvatore Francesco Lombardo, Maria Grazia Grimaldi, Karim Huet, Benoit Curvers, Bobby Lespinasse, Armand Verstraete, Antonino La Magna
Published in: Physical Review Materials, Issue 4/5, 2020, Page(s) 056007, ISSN 2475-9953
Publisher: American Physical Society
DOI: 10.1103/physrevmaterials.4.056007

Investigation of recrystallization and stress relaxation in nanosecond laser annealed Si1−xGex/Si epilayers

Author(s): L. Dagault, S. Kerdilès, P. Acosta Alba, J.-M. Hartmann, J.-P. Barnes, P. Gergaud, E. Scheid, F. Cristiano
Published in: Applied Surface Science, Issue 527, 2020, Page(s) 146752, ISSN 0169-4332
Publisher: Elsevier BV
DOI: 10.1016/j.apsusc.2020.146752

Structure, electronic properties, and energetics of oxygen vacancies in varying concentrations of SixGe1−xO2

Author(s): A.-M. El-Sayed, M. Jech, D. Waldhör, A. Makarov, M. I. Vexler, S. Tyaginov
Published in: Phys. Rev. Materials, Issue 6, 2022, Page(s) 125002, ISSN 2475-9953
Publisher: American Physical Society
DOI: 10.1103/physrevmaterials.6.125002

Investigation of oxygen penetration during UV nanosecond laser annealing of silicon at high energy densities

Author(s): R. Monflier, T. Tabata, H. Rizk, J. Roul, K. Huet, F. Mazzamuto, P. Acosta Alba, S. Kerdilès, S. Boninelli, A. La Magna, E. Scheid, F. Cristiano, E. Bedel-Pereira
Published in: Applied Surface Science, Issue 546, 2021, Page(s) 149071, ISSN 0169-4332
Publisher: Elsevier BV
DOI: 10.1016/j.apsusc.2021.149071

Ab initio investigations in amorphous silicon dioxide: Proposing a multi-state defect model for electron and hole capture

Author(s): C. Wilhelmer, D. Waldhoer, M. Jech, A.M. El-Sayed, L. Cvitkovich, M. Waltl, T. Grasser
Published in: Microelectron. Reliab., Issue 139, 2022, Page(s) 114801, ISSN 0026-2714
Publisher: Elsevier BV
DOI: 10.1016/j.microrel.2022.114801

Multiscale Simulations for Defect-Controlled Processing of Group IV Materials

Author(s): G. Calogero, I. Deretzis, G. Fisicaro, M. Kollmuß, F. La Via, S. F. Lombardo, M. Schöler, P.J. Wellmann, A. La Magna
Published in: Crystals, Issue 12, 2022, Page(s) 1701, ISSN 2073-4352
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/cryst12121701

Molecule Clustering Dynamics in the Molecular Doping Process of Si(111) with Diethyl-propyl-phosphonate

Author(s): M. Pizzone, M. G. Grimaldi, A. La Magna, S. Scalese, J. Adam, R. A. Puglisi
Published in: Int. J. Mol. Sci., Issue 24(8), 2023, Page(s) 6877, ISSN 1422-0067
Publisher: Multidisciplinary Digital Publishing Institute (MDPI)
DOI: 10.3390/ijms24086877

Secondary ion mass spectrometry quantification of boron distribution in an array of silicon nanowires

Author(s): Paweł Piotr Michałowski; Jonas Müller; Chiara Rossi; Alexander Burenkov; Eberhard Bär; Guilhem Larrieu; Peter Pichler
Published in: Measurement, Issue 211, 2023, Page(s) 112630, ISSN 0263-2241
Publisher: Elsevier BV
DOI: 10.1016/j.measurement.2023.112630

On Continuum Simulations of the Evolution of Faulted and Perfect Dislocation Loops in Silicon during Post-Implantation Annealing

Author(s): Anna Johnsson
Published in: MRS Advances, Issue 7, 2022, Page(s) 1315-1320, ISSN 2059-8521
Publisher: Springer Nature Switzerland AG
DOI: 10.1557/s43580-022-00424-x

Prediction of the evolution of defects induced by the heated implantation process: Contribution of kinetic Monte Carlo in a multi-scale modeling framework

Author(s): Julliard, P.L.; Johnsson, A.; Zographos, N.; Demoulin, R.; Monflier, Richard; Jay, A.; Er-Riyahi, O.; Monsieur, F.; Joblot, S.; Deprat, F.; Rideau, D.; Pichler, P.; Hémeryck, Anne; Cristiano, Fuccio
Published in: Solid-State Electronics, Issue 200, 2023, Page(s) 108521, ISSN 0038-1101
Publisher: Pergamon Press Ltd.
DOI: 10.1016/j.sse.2022.108521

IRA: A Shape Matching Approach for Recognition and Comparison of Generic Atomic Patterns

Author(s): M. Gunde, N. Salles, A. Hémeryck, L. Martin-Samos
Published in: J. Chem. Inf. Model., Issue 61(11), 2021, Page(s) 5446–5457, ISSN 1549-960X
Publisher: American Chemical Society
DOI: 10.1021/acs.jcim.1c00567

Study of recrystallization and activation processes in thin and highly doped silicon-on-insulator layers by nanosecond laser thermal annealing

Author(s): N. Chery, M. Zhang, R. Monflier, N. Mallet, G. Seine, V. Paillard, J. M. Poumirol, G. Larrieu, A. S. Royet, S. Kerdilès, P. Acosta-Alba, M. Perego, C. Bonafos, F. Cristiano
Published in: J. Appl. Phys., Issue 131, 2022, Page(s) 065301, ISSN 0021-8979
Publisher: American Institute of Physics
DOI: 10.1063/5.0073827

Conference proceedings (11)

Implant heating contribution to amorphous layer formation: a KMC approach

Author(s): P.L. Julliard, P. Dumas, F. Monsieur, F. Hilario, D. Rideau, A. Hemeryck, F. Cristiano
Published in: 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020, Page(s) 43-46, ISBN 978-4-86348-763-5
Publisher: IEEE
DOI: 10.23919/sispad49475.2020.9241608

Advanced simulations on laser annealing: explosive crystallization and phonon transport corrections

Author(s): Alberto Sciuto, Ioannis Deretzis, Giuseppe Fisicaro, Salvatore F. Lombardo, Antonino La Magna, Maria Grazia Grimaldi, Karim Huet, Bobby Lespinasse, Armand Verstraete, Benoit Curvers, Igor Bejenari, Alexander Burenkov, Peter Pichler
Published in: 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020, Page(s) 71-74, ISBN 978-4-86348-763-5
Publisher: IEEE
DOI: 10.23919/sispad49475.2020.9241660

Molecular Dynamics Simulations Supporting the Development of a Continuum Model of Heat Transport in Nanowires

Author(s): I. Bejenari, A. Burenkov, P. Pichler, I. Deretzis, A. Sciuto, A. La Magna
Published in: Proceedings of the 27th International Workshop on Thermal Investigations of ICs and Systems (THERMINIC 2021), 2021, Page(s) 194-199, ISBN 9781665418973
Publisher: IEEE
DOI: 10.1109/therminic52472.2021.9626512

Clusters of Defects as a Possible Origin of Random Telegraph Signal in Imager Devices: a DFT based Study

Author(s): Antoine Jay; Anne Hémeryck; Filadelfo Cristiano; Denis Rideau; P.L. Julliard; Vincent Goiffon; A. LeRoch; Nicolas Richard; L. Martin Samos; S. de Gironcoli
Published in: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2021, Page(s) 128-132, ISBN 9781665406864
Publisher: IEEE
DOI: 10.1109/sispad54002.2021.9592553

CV Stretch-Out Correction after Bias Temperature Stress: Work-Function Dependence of Donor-/Acceptor-Like Traps, Fixed Charges, and Fast States

Author(s): T. Grasser, B. O'Sullivan, B. Kaczer, J. Franco, B. Stampfer, M. Waltl
Published in: 2021 IEEE International Reliability Physics Symposium (IRPS), 2021, Page(s) 1-6, ISBN 978-1-7281-6893-7
Publisher: IEEE
DOI: 10.1109/irps46558.2021.9405184

Machine Learning Prediction of Defect Formation Energies in a-SiO 2

Author(s): Diego Milardovich, Markus Jech, Dominic Waldhoer, Michael Waltl, Tibor Grasser
Published in: 2020 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2020, Page(s) 339-342, ISBN 978-4-86348-763-5
Publisher: IEEE
DOI: 10.23919/sispad49475.2020.9241609

Polarons as a universal source of leakage currents in amorphous oxides: a multiscale modeling approach

Author(s): D. Waldhoer, C. Schleich, A.-M. El-Sayed, T. Grasser
Published in: Proc. SPIE, Issue 12422, 2023, Page(s) 1242203, ISSN 0277-786X
Publisher: SPIE
DOI: 10.1117/12.2659249

Developing a Neural Network potential to investigate interface phenomena in solid-phase epitaxy

Author(s): Ruggero Lot; Layla Martin-Samos; Stefano de Gironcoli; Anne Hemeryck
Published in: 16th IEEE Nanotechnology Materials and Devices Conference (IEEE NMDC 2021), 2021, Page(s) 82-86, ISBN 9781665446532
Publisher: IEEE
DOI: 10.1109/nmdc50713.2021.9677541

Molecular Dynamics Modeling of the Radial Heat Transfer from Silicon Nanowires

Author(s): Igor Bejenari; Alexander Burenkov; Peter Pichler; Ioannis Deretzis; Antonino La Magna
Published in: International Conference on Simulation of Semiconductor Processes and Devices (SISPAD 2020), Issue 2, 2020, Page(s) 67-70
Publisher: IEEE
DOI: 10.23919/sispad49475.2020.9241646

Kinetic Monte Carlo for Process Simulation: First Principles Calibrated Parameters for BO 2

Author(s): Pierre-Louis Julliard; Antoine Jay; Miha Gunde; Nicolas Salles; Frederic Monsieur; Nicolas Guitard; Thomas Cabout; Sylvain Joblot; Layla Martin-Samos; Denis Rideau; Fuccio Cristiano; Anne Hémeryck
Published in: 2021 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), 2021, Page(s) 219-223, ISBN 9781665406864
Publisher: IEEE
DOI: 10.1109/sispad54002.2021.9592580

Advanced Contacts on 3D Nanostructured Channels for Vertical Transport Gate-all-around Transistors

Author(s): G. Larrieu, J. Müller, S. Pelloquin, A. Kumar, K. Moustakas, P. Michałowski, A. Lecestre
Published in: 21st International Workshop on Junction Technology (IWJT), 2023
Publisher: IEEE
DOI: 10.23919/iwjt59028.2023.10175172