The ground state of two-dimensional silicon

Borlido P, Roedl C, Marques MAL, Botti S (2018)

Publication Type: Journal article

Publication year: 2018

Journal

2D Materials IOP Science

Book Volume: 5

Article Number: 035010

Journal Issue: 3

DOI: 10.1088/2053-1583/aab9ea

Abstract

We perform ab initio structure-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.

Involved external institutions

Friedrich-Schiller-Universität Jena DE Germany (DE) Martin-Luther-Universität Halle-Wittenberg (MLU) DE Germany (DE)

How to cite

APA:

Borlido, P., Roedl, C., Marques, M.A.L., & Botti, S. (2018). The ground state of two-dimensional silicon. 2D Materials, 5(3). https://doi.org/10.1088/2053-1583/aab9ea

MLA:

Borlido, Pedro, et al. "The ground state of two-dimensional silicon." 2D Materials 5.3 (2018).

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