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Conducting boron sheets formed by the reconstruction of the α-boron (111) surface

Authors: M. Amsler, S. Botti, M.A.L. Marques, and S. Goedecker

Ref.: Phys. Rev. Lett. 111, 136101 (2013)

Abstract: Systematic ab initio structure prediction was applied for the first time to predict low energy surface reconstructions by employing the minima hopping method on the α-boron (111) surface. Novel reconstruction geometries were identified and carefully characterized in terms of structural and electronic properties. Our calculations predict the formation of a planar, mono-layer sheet at the surface, which is responsible for conductive surface states. Furthermore, the isolated boron sheet is shown to be the ground state 2D-structure in vacuum at a hole density of η=1/5 and is therefore a potential candidate as a precursor for boron nano-structures.

Citations: 31 (Google scholar)

DOI: 10.1103/PhysRevLett.111.136101

URL: link.aps.org

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Bibtex:

@article{Amsler_2013,
	doi = {10.1103/physrevlett.111.136101},
	url = {https://doi.org/10.1103%2Fphysrevlett.111.136101},
	year = 2013,
	month = {sep},
	publisher = {American Physical Society ({APS})},
	volume = {111},
	number = {13},
	author = {Maximilian Amsler and Silvana Botti and Miguel A. L. Marques and Stefan Goedecker},
	title = {Conducting Boron Sheets Formed by the Reconstruction of the$\upalpha$-Boron (111) Surface},
	journal = {Physical Review Letters}
}