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Cited by 672

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Polymorphism of Two-Dimensional Boron

Penev, Evgeni S., Bhowmick, Somnath, Sadrzadeh, Arta, Yakobson, Boris I.·2012·Nano Letters

Abstract

The structural stability and diversity of elemental boron layers are evaluated by treating them as pseudoalloy B(1-x)[hexagon](x), where [hexagon] is a vacancy in the close-packed triangular B lattice. This approach allows for an elegant use of the cluster expansion method in combination with first-principles density-functional theory calculations, leading to a thorough exploration of the configurational space. A finite range of compositions x is found where the ground-state energy is essentially independent of x, uncovering a variety of stable B-layer phases (all metallic) and suggesting polymorphism, in stark contrast to graphene or hexagonal BN.

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Crossref · 10.1021/nl3004754

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Metadata

Authors
Penev, E. S., Bhowmick, S., Sadrzadeh, A., & Yakobson, B. I.
Venue
Nano Letters
Published
2012-04-20
Volume
12
Issue
5
Pages
2441-2445
ISSN
  • 1530-6984 (ISSN-L)
  • 1530-6992
OpenAlex
W2318953822
Cited by
672
References
1
FWCI
12.02
Type
journal article
Language
en
Open access
closed

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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