Abstract：
:Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequencies analysis, we predict a new family of two-dimensional materials based on the idea of octet stability: honeycomb lattices of pnictogens (N, P, As, Sb, Bi). The buckled structures of materials come from the sp(3) hybridization. These materials have indirect band gap ranging from 0.43 eV to 3.7 eV. From the analysis of projected density of states, we argue that the s and p orbitals together are sufficient to describe the electronic structure under tight-binding model, and the tight-binding parameters are obtained by fitting the band structures to first-principle results. Surprisingly large on-site spin-orbit coupling is found for all the pnictogen lattices except nitrogen. Investigation on the electronic structures of both zigzag and armchair nanoribbons reveals the possible existence of spin-polarized ferromagnetic edge states in some cases, which are rare in one-dimensional systems. These edge states and magnetism may exist under the condition of high vacuum and low temperature. This new family of materials would have promising applications in electronics, optics, sensors, and solar cells.
journal_name
Sci Repjournal_title
Scientific reportsauthors
Lee J,Tian WC,Wang WL,Yao DXdoi
10.1038/srep11512subject
Has Abstractpub_date
2015-06-30 00:00:00pages
11512issn
2045-2322pii
srep11512journal_volume
5pub_type
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