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1.
J Phys Condens Matter ; 28(32): 326001, 2016 08 17.
Artículo en Inglés | MEDLINE | ID: mdl-27346457

RESUMEN

Magnetic properties of Mn linear nanochains on a bcc Fe(1 1 0) surface have been studied using the first-principles real space-linear muffin-tin orbital atomic sphere approximation (RS-LMTO-ASA) method. We have considered up to nine Mn atoms deposited on bcc Fe(1 1 0). Our ab initio calculations reveal the competition between the antiferromagnetic Mn-Mn and Mn-Fe couplings, presenting a behavior which is very different from Mn nanowires on Fe(0 0 1), as shown in a previous publication. Due to this competition and non-negligible Dzyaloshinskii-Moriya interaction, noncollinear magnetic structures are stabilized as ground states for the Mn nanochains on Fe(1 1 0).

2.
J Phys Condens Matter ; 26(20): 206003, 2014 May 21.
Artículo en Inglés | MEDLINE | ID: mdl-24786650

RESUMEN

The magnetic properties of FexCo1-x nanochains on Pt(1 1 1) were studied using the first-principles real-space linear muffin-tin orbital-atomic sphere approximation (RS-LMTO-ASA) method within the density functional theory. The relative amounts of Fe and Co atoms in a chosen nanochain were varied and several possible arrangements of the atomic species were taken into account. The results of the exchange interaction demonstrates ferromagnetic coupling for the nanowires. Our calculations of Fe and Co average magnetic moments reveal a large enhancement of both spin and orbital moments compared to Fe-Co films deposited on a Pt(1 1 1) surface. The trend for the orbital moments with respect to stoichiometry differs from all previous higher-dimensional Fe-Co alloys on Pt(1 1 1) studies.


Asunto(s)
Cobalto/química , Compuestos de Hierro/química , Campos Magnéticos , Nanopartículas del Metal/química , Nanopartículas del Metal/ultraestructura , Modelos Químicos , Platino (Metal)/química , Simulación por Computador , Impedancia Eléctrica , Imanes , Conformación Molecular , Propiedades de Superficie
3.
J Phys Chem B ; 112(6): 1693-8, 2008 Feb 14.
Artículo en Inglés | MEDLINE | ID: mdl-18198860

RESUMEN

A model for the selective adsorption phenomenon in an isotropic liquid accounting for a van der Waals interaction between the ions and the surface is presented, in the framework of the Poisson-Boltzmann theory. The fundamental equations governing the electric field distribution are exactly solved for low and high potential regimes.

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