Ab initio study of the theoretical strength and magnetism of the Fe−Pd, Fe−Pt and Fe−Cu nanocomposites

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68081723%3A_____%2F19%3A00492417" target="_blank" >RIV/68081723:_____/19:00492417 - isvavai.cz</a>

Alternative codes found

RIV/68081731:_____/19:00492417 RIV/00216305:26620/19:PU128713 RIV/00216224:14310/19:00109263

Result on the web

<a href="http://dx.doi.org/10.1016/j.jmmm.2018.08.027" target="_blank" >http://dx.doi.org/10.1016/j.jmmm.2018.08.027</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jmmm.2018.08.027" target="_blank" >10.1016/j.jmmm.2018.08.027</a>

Result language

angličtina

Original language name

Ab initio study of the theoretical strength and magnetism of the Fe−Pd, Fe−Pt and Fe−Cu nanocomposites

Original language description

We studied the Fe−Pd, Fe−Pt and Fe−Cu nanocomposites formed by Fe nanowires embedded in the fcc Pd, Ptnor Cu matrix. The Fe atoms form nanowires oriented along the [0 0 1] crystallographic direction. They replacensecond nearest neighbor atoms in the matrix. By means of varying the distance between the nanowires wenarrived to the chemical compositions X15Fe, X8Fe and X7Fe where X stands for Pd, Pt and Cu. The mechanicalnand magnetic properties of the nanocomposites were obtained by ab initio simulations. We performed tensilenand compressive tests along the [0 0 1] direction and compared the results with the deformation behavior of thenfcc matrix and the known intermetallic compounds FePd3 and FePt3. It turned out that the maximum attainablenstress for the Fe−Pd and Fe−Pt nanocomposites is higher than the stress attainable for the Pd and Pt matrices.nThe maximum stress increased with the increasing Fe content. The increase was due to the enhanced stability innthe nanocomposites described by the C11−C12 > 0 condition. This effect was particularly pronounced in thenFe−Pt nanocomposites. On the contrary, the Fe nanowires in the Fe−Cu nanocomposites do not enhance thenstability and strength of the Cu matrix. They even make the Cu matrix more compliant to compression.nRegarding the magnetic ground states, the Fe−Pd and Fe−Pt nanocomposites prefer a ferromagnetic configurationnwhere the spins of all Fe atoms are oriented in parallel manner. On the other hand, the Fe−Cu nanocompositesnexhibit an antiferromagnetic configuration where the spins of all Fe atoms assigned to a particularnnanowire are oriented parallel, but antiparallel to the spins of a neighboring Fe nanowire. The Young modulusnE001 along the [0 0 1] crystallographic direction increases linearly with the Fe content in both the Fe−Pd andnFe−Pt nanocomposites.

Czech name

—

Czech description

—

Type

J_imp - Article in a specialist periodical, which is included in the Web of Science database

CEP classification

—

OECD FORD branch

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Project

Result was created during the realization of more than one project. More information in the Projects tab.

Continuities

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Publication year

2019

Confidentiality

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Name of the periodical

Journal of Magnetism and Magnetic Materials

ISSN

0304-8853

e-ISSN

—

Volume of the periodical

469

Issue of the periodical within the volume

1

Country of publishing house

NL - THE KINGDOM OF THE NETHERLANDS

Number of pages

8

Pages from-to

100-107

UT code for WoS article

000447147100017

EID of the result in the Scopus database

2-s2.0-85052112511