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Title of Journal: J Nanopart Res

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Abbravation: Journal of Nanoparticle Research

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Springer Netherlands

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DOI

10.1002/cber.19881210703

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1572-896X

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Finite size effects on the magnetocrystalline anis

Authors: F Muñoz A H Romero J MejíaLópez J L MoránLópez
Publish Date: 2013/03/27
Volume: 15, Issue: 4, Pages: 1524-
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Abstract

The geometric and the electronic structures the magnetic moments and the magnetocrystalline anisotropy energy of bccFe nanowires with zaxis along the 110 direction are calculated in the framework of ab initio theories In particular we report a systematic study of free standing nanowires with geometries and sizes ranging from diatomic to 1 nm wide with 31 atoms per unit cell We found that for nanowires with less than 14 atoms per unit cell the groundstate structure is bodycentered tetragonal We also calculated the contributions of the dipolar magnetic energy to the magnetic anisotropy energy and found that in some cases this contribution overcomes the magnetocrystalline part determining thereby the easy axis direction These results emphasize the importance and competition between both contributions in low dimensional systemsThe authors gratefully acknowledge the support from FONDECYT 1100365 JML and 11110510 FM Grant ICM P10061F by ”Fondo de Innovación para la competitividadMINCOM JML and FM Financiamiento Basal para Centros Científicos y Tecnológicos de Excelencia under project FB0807 JML and CONACYT Mexico through grants 61417 JLM J59853F JLM and J152153F AHR AHR also acknowledges the support from the binational program TAMUCONACYT and the MarieCurie IntraEuropean Fellowship and the support of CONACYTMexico for the sabbatical program The use of computational resources from the CNS IPICyT is acknowledged

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