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Extrinsic doping in group IV hexagonal-diamond-type crystals

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Over the past few years, group IV hexagonal-diamond-type crystals have acquired a lot of attention in semiconductor physics thanks to the appearance of novel and very effective growth methods. However, many questions remain unaddressed on their extrinsic doping capability and on how it compares to those of diamond-like structures. This point is here investigated through numerical simulations conducted in the framework of the density functional theory (DFT).

Electronic structure and optical properties of semiconductor nanowires polytypes

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Advances in the fabrication and characterization of nanowires polytypes have made crystal phase engineering a well-established tool to tailor material properties. In this review, recent progresses in the field are described, with special focus on the central role that crystal phase has in modulating the electronic and optical properties of nanowires. We start with an overview on III-V nanowires, which have been developed first and for which more experimental results already exist. Then, particular attention will be devoted to group IV polytypes which represent one of the most exciting and novel topic in the field. A survey of both theoretical and experimental efforts will be provided with the final aim of highlighting the importance of crystal phase control in materials design.
Full text at: DOI https://doi-org.proxy.scd.u-psud.fr/10.1140/epjb/e2019-100375-7

Publications

Amato, M., Kaewmaraya, T. & Zobelli, A. Extrinsic Doping in Group IV Hexagonal-Diamond-Type Crystals. The Journal of Physical Chemistry C (2020).doi:10.1021/acs.jpcc.0c03713
Amato, M., Kaewmaraya, T., Zobelli, A., Palummo, M. & Rurali, R. Crystal Phase Effects in Si Nanowire Polytypes and Their Homojunctions. Nano Letters 16, 5694–5700 (2016).
Bourrellier, R., et al. Nanometric Resolved Luminescence in h-BN Flakes: Excitons and Stacking Order. ACS Photonics 1, (2014). Download: bourrellier-acs-photonics.pdf (7.37 MB)
Zobelli, A., et al. A comparative study of density functional and density functional tight binding calculations of defects in graphene. physica status solidi (b) 249, 276 - 282 (2012). Download: zobelli_pssb_2012.pdf (2.01 MB)
Ivanovskaya, V.V., et al. Low-Energy Termination of Graphene Edges via the Formation of Narrow Nanotubes. Physical Review Letters 107, 065502 (2011). Download: PhysRevLett.107.065502.pdf (506.32 KB)
Ivanovskaya, V.V., et al. Hydrogen adsorption on graphene: a first principles study. The European Physical Journal B 76, 481 - 486 (2010). Download: H-at-Graphene.pdf (254.61 KB)
Ivanovskaya, V.V., et al. Ab initio study of bilateral doping within the MoS2-NbS2 system. Physical Review B 78, 134104 (2008). Download: PhysRevB.78.134104.pdf (609.69 KB)
Zobelli, A., Gloter, A., Ewels, C.P., Seifert, G. & Colliex, C. Electron knock-on cross section of carbon and boron nitride nanotubes. Physical Review B 75, (2007). Download: crosssec.pdf (399.11 KB)
Zobelli, A., et al. Defective Structure of BN Nanotubes:  From Single Vacancies to Dislocation Lines. Nano Letters 6, 1955 - 1960 (2006).
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