Emergence of half-metallicity in suspended NiO chains: Ab initio electronic structure and quantum transport calculations
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Título: | Emergence of half-metallicity in suspended NiO chains: Ab initio electronic structure and quantum transport calculations |
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Autor/es: | Jacob, David | Fernández-Rossier, Joaquín | Palacios Burgos, Juan José |
Grupo/s de investigación o GITE: | Grupo de Nanofísica |
Centro, Departamento o Servicio: | Universidad de Alicante. Departamento de Física Aplicada |
Palabras clave: | Ab initio electronic structure | Quantum transport calculations | NiO chains | Half-metallicity |
Área/s de conocimiento: | Física de la Materia Condensada |
Fecha de publicación: | 9-ago-2006 |
Editor: | American Physical Society |
Cita bibliográfica: | JACOB, David; FERNÁNDEZ-ROSSIER, J.; PALACIOS, J.J. “Emergence of half-metallicity in suspended NiO chains: Ab initio electronic structure and quantum transport calculations”. Physical Review B. Vol. 74, No. 8 (2006). ISSN 1098-0121, pp. 081402(R)-1/4 |
Resumen: | Contrary to the antiferromagnetic and insulating character of bulk NiO, one-dimensional chains of this material can become half metallic due to the lower coordination of their atoms. Here we present ab initio electronic structure and quantum transport calculations of ideal infinitely long NiO chains and of more realistic short ones suspended between Ni electrodes. While infinite chains are insulating, short suspended chains are half-metallic minority-spin conductors that displays very large magnetoresistance and a spin-valve behavior controlled by a single atom. |
Patrocinador/es: | D.J. acknowledges financial support from MECD under Grant No. UAC-2004-0052. J.F.R. acknowledges financial support from Grants No. FIS200402356 (MCyT) and No. GV05-152, and the Ramon y Cajal Program (MCyT). J.J.P. acknowledges financial support from Grant No. MAT2005-07369. |
URI: | http://hdl.handle.net/10045/25225 |
ISSN: | 1098-0121 (Print) | 1550-235X (Online) |
DOI: | 10.1103/PhysRevB.74.081402 |
Idioma: | eng |
Tipo: | info:eu-repo/semantics/article |
Derechos: | © 2006 The American Physical Society |
Revisión científica: | si |
Versión del editor: | http://dx.doi.org/10.1103/PhysRevB.74.081402 |
Aparece en las colecciones: | INV - Grupo de Nanofísica - Artículos de Revistas |
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