Structure and magnetism of near-stoichiometric FePd nanoparticles

JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS

卷:321

Article; Proceedings Paper

Gruner, Markus E.¹ 

[1] Univ Duisburg Essen, CENIDE, Dept Phys, D-47048 Duisburg, Germany

关键词: Density functional theory;    Binary transition metal nanoparticle;    Multiple twinning;    Iron-palladium alloy;   

DOI  :  10.1016/j.jmmm.2008.11.062

来源: Elsevier

【 摘 要 】

We investigate from first principles the energetic order of single crystalline L10- ordered and multiply twinned morphologies of FePd nanoparticles close to the stoichiometric composition considering up to 561 atoms. The results are related to previous analogous calculations of FePt and CoPt nanoparticles. We find that compared to the isoelectronic FePt alloy, multiply twinned structures are slightly favored in energy, while the latent tendencies to form a layered antiferromagnetic structure in the L1(0) phase are less pronounced. (C) 2008 Elsevier B.V. All rights reserved.

【 授权许可】

Free