Impact of Charge Transitions at Atomic Defect Sites on Electronic Device Performance

List of Publications

Journal Articles

[1] C. Wilhelmer, M. E. Turiansky, D. Waldhoer, L. Cvitkovich, C. G. Van de Walle, T. Grasser, "Optical properties of vacancies in $α$ -Al $_{2}$ O $_{3}$ from first principles", in preparation, (2024).
[2] H. Ravichandran, T. Knobloch, S. Radhakrishnan, C. Wilhelmer, S. Stepanoff, B. Stampfer, S. Ghosh, A. Oberoi, D. Waldhoer, C. Chen, J. Redwing, D. Wolfe, T. Grasser, S. Das, "A stochastic encoder using point defects in two-dimensional materials", Nature Communications, 15 (1), 10562, (2024), doi:10.1038/s41467-024-54283-1.
[3] L. Cvitkovich, F. Fehringer, C. Wilhelmer, D. Waldhoer, T. Grasser, "Machine learning force field for thermal oxidation of silicon", The Journal of Chemical Physics, 161 (14), 144706, (2024), doi:10.1063/5.0220091.
[4] L. Cvitkovich, P. Stano, C. Wilhelmer, D. Waldhoer, D. Loss, Y.-M. Niquet, T. Grasser, "Coherence limit due to hyperfine interaction with nuclei in the barrier material of Si spin qubits", Physical Review Applied, under review (2024), arXiv:arXiv:2405.10667.
[5] C. Wilhelmer, D. Waldhoer, L. Cvitkovich, D. Milardovich, M. Waltl, T. Grasser, "Polaron formation in the hydrogenated amorphous silicon nitride Si $_{3}$ N $_{4}$ :H", Physical Review B, 110, 045201, (2024), doi:10.1103/PhysRevB.110.045201
[6] C. Wilhelmer, D. Waldhoer, D. Milardovich, L. Cvitkovich, M. Waltl, T. Grasser, "Over- and undercoordinated atoms as a source of electron and hole traps in amorphous silicon nitride ( $a$ -Si $_{3}$ N $_{4}$ )", Nanomaterials, 13, 2286, (2023), doi:10.3390/nano13162286
[7] D. Milardovich, C. Wilhelmer, D. Waldhoer, L. Cvitkovich, G. Sivaraman, T. Grasser, "Machine learning interatomic potential for silicon-nitride (Si $_{3}$ N $_{4}$ ) by active learning", The Journal of Chemical Physics, 158, 194802, (2023), doi:10.1063/5.0146753
[8] L. Cvitkovich, D. Waldhör, A.-M. El-Sayed, M. Jech, C. Wilhelmer, T. Grasser, "Dynamic modeling of Si(100) thermal oxidation: Oxidation mechanisms and realistic amorphous interface generation", Applied Surface Science, 610, 155378, (2023), doi:10.1016/j.apsusc.2022.155378
[9] C. Wilhelmer, D. Waldhör, M. Jech, A.-M. El-Sayed, L. Cvitkovich, M. Waltl, T. Grasser, "Ab initio investigations in amorphous silicon dioxide: Proposing a multi-state defect model for electron and hole capture", Microelectronics Reliability, 139, 114801, (2022), doi:10.1016/j.microrel.2022.114801

Conference Proceedings

[1] R.Ghosh, T. Knobloch, A. Karl, C. Wilhelmer, A. Provias, D. Waldhoer, T. Grasser, “Modeling the impact of interface and border traps on hysteresis in encapsulated monolayer MoS $_{2}$ based double gated FETs”, in 32 $nd$ Austrian Workshop on Microelectronics - Austrochip 2024, 25.-26. September 2024, Vienna, Austria, doi:10.1109/Austrochip62761.2024.10716217
[2] C. Wilhelmer, D. Waldhoer, D. Milardovich, L. Cvitkovich, M. Waltl, T. Grasser, “Intrinsic electron trapping in amorphous silicon nitride
( $a$ -Si $_{3}$ N $_{4}$ :H)”, in 2023 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), pp. 149-152, 27.-29. September 2023, Kobe, Japan, doi:10.23919/SISPAD57422.2023.10319493
[3] L. Cvitkovich, B. Sklénard, D. Waldhoer, J. Li, C. Wilhelmer, G. Veste, Y.-M. Niquet, T. Grasser, “Variability in Si/SiGe and Si/SiO2 spin qubits due to interfacial disorder”, in 2023 International Conference on Simulation of Semiconductor Processes and Devices (SISPAD), pp. 341-344, 27.-29. September 2023, Kobe, Japan, doi:10.23919/SISPAD57422.2023.10319618
[4] C. Wilhelmer, D. Waldhör, M. Jech, A.-M. El-Sayed, L. Cvitkovich, M. Waltl, T. Grasser, “Metastability of negatively charged hydroxyl-E’ centers and their potential role in positive bias temperature instabilities”, in ESSDERC 2022 - IEEE 52nd European Solid-State Device Research Conference (ESSDERC), pp. 376-379, 19.-22. September 2022, Milan, Italy, doi:10.1109/ESSDERC55479.2022.9947111
[5] L. Cvitkovich, D. Waldhör, M. Jech, A.-M. El-Sayed, C. Wilhelmer, T. Grasser, “Multiscale modeling study of native oxide growth on a Si (100) surface”, in ESSDERC 2021 - IEEE 51st European Solid-State Device Research Conference (ESSDERC), pp. 235-238, 13.-22. September 2021, Grenoble, France, doi:10.1109/ESSDERC53440.2021.9631790
[6] C. Wilhelmer, M. Jech, D. Waldhör, A.-M. El-Sayed, L. Cvitkovich, T. Grasser, “Statistical ab initio analysis of electron trapping oxide defects in the Si/SiO $_{2}$ network”, in ESSDERC 2021 - IEEE 51st European Solid-State Device Research Conference (ESSDERC), pp. 243-246, 13.-22. September 2021, Grenoble, France, doi:10.1109/ESSDERC53440.2021.9631833

Conference Contributions

[1] C. Wilhelmer, D. Waldhör, L. Cvitkovich, M. Waltl, T. Grasser, “Ab initio investigations of electron and hole trapping processes of H induced defects in amorphous SiO $_{2}$ ”, in SiO2 2023 - The 14th international conference on SiO2, advanced dielectrics and related devices, Talk, 12.-14. June 2023, Palermo, Italy
[2] L. Cvitkovich, D. Waldhör, A.-M. El-Sayed, M. Jech, C. Wilhelmer, T. Grasser, “Variability in Si/SiGe and Si/SiO $_{2}$ spin qubits due to interfacial disorder”, in SiO2 2023 - The 14th international conference on SiO2, advanced dielectrics and related devices, Talk, 12.-14. June 2023, Palermo, Italy
[3] C. Wilhelmer, D. Milardovich, D. Waldhör, L. Cvitkovich, M. Waltl, T. Grasser, “Intrinsic charge trapping sites in amorphous Si $_{3}$ N $_{4}$ ”, in European Materials Research Society 2023 Spring Meeting, 29. May - 2. June 2023, Talk, Strasbourg, France
[4] L. Cvitkovich, B. Sklénard, D. Waldhoer, J. Li, C. Wilhelmer, Y.-M. Niquet, T. Grasser, “Variability in Si spin qubits due to disordered Si/SiO $_{2}$ interfaces”, in European Materials Research Society 2023 Spring Meeting, 29. May - 2. June 2023, Talk, Strasbourg, France
[5] C. Wilhelmer, D. Milardovich, D. Waldhör, L. Cvitkovich, M. Waltl, T. Grasser, “Ab-initio study of multi-state defects in amorphous SiO $_{2}$ ”, in Psi-k Conference, 22. - 25. August 2022, Poster, Lausanne, Switzerland
[6] L. Cvitkovich, D. Waldhör, A.-M. El-Sayed, M. Jech, C. Wilhelmer, T. Grasser, “Ab-Initio Modeling of the Initial Stages of Si(100) Thermal Oxidation”, in Psi-k Conference, 22. - 25. August 2022, Poster, Lausanne, Switzerland
[7] C. Wilhelmer, M. Jech, D. Waldhör, T. Grasser, “Ab-Initio Investigation of Hydrogen Migration in Silicon”, in Summer School MATERIALS 4.0, 17. - 21. August 2020, Poster, Dresden, Germany
[8] M. Taupin, Sami Dzsaber, X. Yan, C. Wilhelmer, A. Prokofiev, S. Paschen, “Experimental study of the strongly correlated Weyl semimetal Ce $_{3}$ Bi $_{4}$ Pd $_{3}$ ”, in New Generation in Strongly Correlated Electron Systems” (NGSCES 2019), 2. - 6. September 2019, Talk, Pescara, Italy