Proceedings of nanoGe Spring Meeting 2022 (NSM22)
DOI: https://doi.org/10.29363/nanoge.nsm.2022.188
Publication date: 7th February 2022
II-VI semiconductors have been known to favour three-dimensional crystal structures. It is therefore a surprise that they form two-dimensional platelets at the few monolayers limit. Considering nanoplatelets of CdSe, we examine both the bulk limit where a zinc-blende crystal structure is favoured as well as the few monolayers limit considering nanoplatelets with varying thicknesses, within density functional theory based calculations. In agreement with experiment, we find that the formation energy is less for the nanoplatelets for few layers than for the bulk structure, indicating that it is energetically more favourable for them to form. Different surface terminations for the nanoplatelets as well as different atoms at the surface are explored in order to understand the energetics. Here again, we find the Cd-terminated (100) surface facets to be most stable. The possible energetics allowing the nanoplatets to form as well as their electronic structure will be discussed.
PM thanks DST Nanomission, India for support through a project.
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