Exotic chemical arrangements and magnetic moment evolution of NixPt1-x (0≤x≤1) nanoparticles
Source abstract
Abstract
We present a systematic study on the chemical ordering pattern and the magnetic properties of Ni x Pt 1 - x ( 0 ⩽ x ≤ 1 ) nanoparticles having a size of 1.5 nm by means of an approach which combines basin hopping structure sampling technique and spin-polarized density functional theory. We found exotic chemical ordering patterns for different Ni/Pt ratios. In addition, we observed a sharp phase transition from non-magnetic to ferromagnetic behaviour around x = 67%. We show that this is a direct consequence of a unique atomic arrangement on the surface in which Ni atoms club together causing the strong Ni-Ni magnetic interaction. The observed magnetic properties are correlated to the electronic density of states.
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Research context
OpenAlex topics: nanoparticles nucleation surface interactions · Magnetic properties of thin films · Advanced Chemical Physics Studies
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