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Open AccessProceedings

Tailoring Active Defect Centers During the Growth of Group IV Crystals

1
Consiglio Nazionale delle Ricerche, Istituto per la Microelettronica e Microsistemi, Zona Industriale VIII Strada 5, I95121 Catania, Italy
2
Department of Physics and Astronomy and INFN, University of Catania, Via S. Sofia 64, 95125 Catania, Italy
*
Author to whom correspondence should be addressed.
Presented at the 11th Italian Quantum Information Science conference (IQIS2018), Catania, Italy, 17–20 September 2018.
These authors contributed equally to this work.
Proceedings 2019, 12(1), 32; https://doi.org/10.3390/proceedings2019012032
Published: 19 December 2019
(This article belongs to the Proceedings of 11th Italian Quantum Information Science conference (IQIS2018))
Defects, e.g., Vacancies (Vs) and Defect-impurity centers, e.g., Nitrogen-Vacancy complexes (NVs), in group IV materials (diamond, SiC, graphene) are unique systems for Quantum Technologies (QT). The control of their positioning is a key issue for any realistic QT application and their tailored inclusion during controlled crystal-growth processes could overcome the limitations of other incorporation methods (e.g., ion implantation causing strong lattice damage). To date, the atomistic evolution regarding the growth of group IV crystals is barely known and this missing knowledge often results in a lack of process control in terms of mesoscopic crystal quality, mainly concerning the eventual generation of local or extended defects and their space distribution. We have developed Kinetic Monte Carlo models to study the growth kinetics of materials characterized by sp 3 bonding symmetries with an atomic-level accuracy. The models can be also coupled to the continuum simulation of the gas-phase status generated in the equipment to estimate the deposition rate and reproduce a variety of growth techniques (e.g., Chemical and Physical Vapour deposition, sublimation, etc.). Evolution is characterized by nucleation and growth of ideal or defective structures and their balance depends critically on process-related parameters. Quantitative predictions of the process evolution can be obtained and readily compared with the structural characterization of the processed samples. In particular, we can describe the surface state of the crystal and the defect generation/evolution (for both point and extended defects, e.g., stacking faults) as a function of the initial substrate conditions and the process parameters (e.g., temperature, pressure, gas flow).
Keywords: Kinetic Monte Carlo; defects; growth Kinetic Monte Carlo; defects; growth
MDPI and ACS Style

Cascio, M.; Deretzis, I.; Fisicaro, G.; Falci, G.; Mannino, G.; Magna, A.L. Tailoring Active Defect Centers During the Growth of Group IV Crystals. Proceedings 2019, 12, 32.

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