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The ground state of two-dimensional silicon
Authors: P. Borlido, C. Rödl, M.A.L. Marques, and S. Botti
Ref.: 2D Mater. 5, 035010 (2018)
Abstract: We perform ab initio structural prediction calculations of the low-energy crystal structures of two-dimensional silicon. Besides the well-known silicene and a few other allotropes proposed earlier in the literature, we discover a wealth of new phases with interesting properties. In particular, we find that the ground state of two-dimensional silicon is an unreported structure formed by a honeycomb lattice with dumbbell atoms arranged in a zigzag pattern. This material, that we call zigzag dumbbell silicene, is 218 meV/atom more stable than silicene and displays a quasi-direct band gap of around 1.11 eV, with a very dispersive electron band. These properties should make it easier to synthesize than silicene and interesting for a wealth of opto-electronic applications.
Citations: 24 (Google scholar)
Bibtex:
@article{Borlido_2018,
doi = {10.1088/2053-1583/aab9ea},
url = {https://doi.org/10.1088%2F2053-1583%2Faab9ea},
year = 2018,
month = {apr},
publisher = {{IOP} Publishing},
volume = {5},
number = {3},
pages = {035010},
author = {Pedro Borlido and Claudia Rödl and Miguel A L Marques and Silvana Botti},
title = {The ground state of two-dimensional silicon},
journal = {2D Materials}
}