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Güller, F.; Llois, A.M.; Goniakowski, J.; Noguera, C. "Polarity effects in unsupported polar nanoribbons" (2013) Physical Review B - Condensed Matter and Materials Physics. 87(20)
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Abstract:

We analyze the characteristics of polarity in unsupported nanoribbons with zigzag edges, by a combination of analytic models, semiempirical Hartree-Fock simulations, and first-principles approach. We consider two materials with widely different ionic-covalent character, MgO and MoS2, and two polarity healing mechanisms: the so-called electronic compensation in ribbons with pristine edges, and ionic compensation in ribbons with an adequately chosen density of missing edge ions. The general expression of compensating charges, the edge metallization and spin polarization in the electronic mechanism, and the efficiency of the ionic mechanism are similar to those known in thin films and at polar surfaces. Differences, however, exist and are related to the low dimensionality, the atomic structure, and the strong undercoordination of edge atoms in nanoribbons. Polarity signatures are specified and a discussion of the possible origins of metallic edge states in these low dimensional objects is provided. © 2013 American Physical Society.

Registro:

Documento: Artículo
Título:Polarity effects in unsupported polar nanoribbons
Autor:Güller, F.; Llois, A.M.; Goniakowski, J.; Noguera, C.
Filiación:Centro Atómico Constituyentes, GIyANN, CNEA, Avenida General Paz 1499, San Martín, Buenos Aires, Argentina
Consejo Nacional de Investigaciones Científicas y Técnicas, Avenida Rivadavia 1917 (C1033AAJ), Buenos Aires, Argentina
Laboratorio Internacional Franco-Argentino en Nanociencias (LIFAN), Argentina
Departamento de Física Juan José Giambiagi, FCEyN-UBA, Intendente Güiraldes 2160 (C1428EGA), Buenos Aires, Argentina
CNRS, Institut des Nanosciences de Paris, UMR 7588, 4 place Jussieu, 75252 Paris Cedex 05, France
UPMC Université Paris 06, INSP, UMR 7588, 4 place Jussieu, 75252 Paris Cedex 05, France
Año:2013
Volumen:87
Número:20
DOI: http://dx.doi.org/10.1103/PhysRevB.87.205423
Título revista:Physical Review B - Condensed Matter and Materials Physics
Título revista abreviado:Phys. Rev. B Condens. Matter Mater. Phys.
ISSN:10980121
CODEN:PRBMD
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10980121_v87_n20_p_Guller

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Citas:

---------- APA ----------
Güller, F., Llois, A.M., Goniakowski, J. & Noguera, C. (2013) . Polarity effects in unsupported polar nanoribbons. Physical Review B - Condensed Matter and Materials Physics, 87(20).
http://dx.doi.org/10.1103/PhysRevB.87.205423
---------- CHICAGO ----------
Güller, F., Llois, A.M., Goniakowski, J., Noguera, C. "Polarity effects in unsupported polar nanoribbons" . Physical Review B - Condensed Matter and Materials Physics 87, no. 20 (2013).
http://dx.doi.org/10.1103/PhysRevB.87.205423
---------- MLA ----------
Güller, F., Llois, A.M., Goniakowski, J., Noguera, C. "Polarity effects in unsupported polar nanoribbons" . Physical Review B - Condensed Matter and Materials Physics, vol. 87, no. 20, 2013.
http://dx.doi.org/10.1103/PhysRevB.87.205423
---------- VANCOUVER ----------
Güller, F., Llois, A.M., Goniakowski, J., Noguera, C. Polarity effects in unsupported polar nanoribbons. Phys. Rev. B Condens. Matter Mater. Phys. 2013;87(20).
http://dx.doi.org/10.1103/PhysRevB.87.205423