Equilibrium properties of binary and ternary metallic immiscible nanoclusters

Dzhurakhalov, A.A.; Hou, Marc

doi:10.1103/physrevb.76.045429

Cited by 36 publications

(20 citation statements)

References 75 publications

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“…Due to the substantial numerical effort arising from the fact that the presence of more than one species in the clusters greatly enhances the complexity of the problem, computational studies for polyatomic clusters were, in the past, either performed using model potentials, 10,11 restricted to selected compositions, [11][12][13] or smaller systems with only a handful of atoms. 14 In this work, we present results from a systematic ab initio investigation over the whole composition range for 13-atom binary TM clusters composed of the elements Mn, Fe, Co, and Ni, as well as 55-atom Co-Mn clusters.…”

Section: Introductionmentioning

confidence: 99%

Magnetism and chemical ordering in binary transition metal clusters

et al. 2008

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Binary XY clusters, with X , Y ͕Mn,Fe,Co,Ni͖, are investigated within first-principles simulations in the framework of density-functional theory. In the case of Co-Mn, the increase in magnetic moment with Mn concentration, which is in contrast to the bulk behavior and was also observed experimentally, is explained on the basis of the electronic structure of the clusters. For Co-Fe, Ni-Mn, Ni-Fe, and Ni-Co, due to the ferromagnetic couplings between the local moments, the same dependence is found, i.e., moments increasing with the concentration of the element with the lower value of atomic number. For Fe-Mn ͑as well as Co-Mn and Ni-Mn clusters containing many Mn atoms͒, the situation appears to be more complex with antiferromagnetic tendencies resulting in a nonmonotonic change of the cluster moment with Mn concentration.

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Section: Introductionmentioning

confidence: 99%

Magnetism and chemical ordering in binary transition metal clusters

et al. 2008

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“…Such nanoparticles can be synthesized in the laboratory and are being extensively studied experimentally [6,[15][16][17][18] and theoretically [19][20][21][22][23][24][25][26][27][28], since they exhibit interesting electronic, magnetic, optical, chemical, and biological properties. In our calculations, we use the actual optical and magneto-optical constants of the constituent materials, ϵ z , ϵ r , ϵ κ , ϵ s , in the spectral region that interests us here, deduced from the experiment [29][30][31], while μ g 1 and μ s 1.…”

Section: Resultsmentioning

confidence: 99%

Strong circular dichroism of core-shell magnetoplasmonic nanoparticles

et al. 2015

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Composite magnetoplasmonic nanoparticles with a core-shell morphology exhibit intriguing optical properties and offer impressive opportunities for tailoring in a controllable manner the light-matter interaction at subwavelength dimensions. These properties are usually analyzed in the framework of the quasi-static approximation, which, however, is often inadequate; thus, a full electrodynamic treatment is required. In this respect, we developed a rigorous method for an accurate description of electromagnetic scattering by a gyrotropic sphere coated with a nongyrotropic concentric spherical shell, based on the full multipole expansion of the wave field. The method was applied to specific examples of core-shell cobalt-silver spherical nanoparticles, where the occurrence of strong circular dichroism induced by magnetoplasmonic interaction, which largely exceeds that of homogeneous noble metal nanoparticles in an external magnetic field, was found. Our results were also explained by reference to the quasi-static approximation, which, though it reproduces the main features of the absorption spectra, strongly overestimates circular dichroism in the cases we studied.

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“…For example, Wu et al proposed an adaptive immune optimization algorithm based on Gupta potentials to study the stability of CueAgeAu trimetallic clusters with 19 and 55 atoms [5]. Abdiravuf et al investigated the CoeAgeCu trimetallic NPs using the MC method [28]. Cheng et al employed the MC method to examine the surface segregation of the icosahedral AgeCueAu NPs [29].…”

Section: Introductionmentioning

confidence: 99%