Artículo
Effect of magnetism and light sp-dopants on chain creation in Ir and Pt break junctions
Fecha de publicación:
06/2014
Editorial:
IOP Publishing
Revista:
Journal of Physics: Condensed Matter
ISSN:
0953-8984
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
Applying the generalization of the model for chain formation in break-junctions (Di Napoli et al 2012 J. Phys.: Condens. Matter 24 135501), we study the effect of light impurities on the energetics and elongation properties of Pt and Ir chains. Our model enables us to develop a tool ideal for detailed analysis of impurity-assisted chain formation, in which zigzag bonds play an important role. In particular we focus on H (s-like) and O (p-like) impurities and assume, for simplicity, that the presence of impurity atoms in experiments results in a ..M-X-M-X-... (M: metal, X: impurity) chain structure in between the metallic leads. Feeding our model with material-specific parameters from systematic full-potential first-principles calculations, we find that the presence of such impurities strongly affects the binding properties of the chains. We find that, while both types of impurities enhance the probability of chains being elongated, the s-like impurities lower the chain's stability. We also analyze the effect of magnetism and spin-orbit interaction on the growth properties of the chains.
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Articulos(SEDE CENTRAL)
Articulos de SEDE CENTRAL
Articulos de SEDE CENTRAL
Citación
Di Napoli, Solange Mariel; Thiess, A.; Blügel, S.; Mokrousov, Y.; Effect of magnetism and light sp-dopants on chain creation in Ir and Pt break junctions; IOP Publishing; Journal of Physics: Condensed Matter; 26; 6-2014; 2953021-29530210
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