Study of influence of segregated impurities on magnetism of grain boundaries and free surfaces in fcc nickel and cobalt

Result code in IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216224%3A14740%2F12%3A00057992" target="_blank" >RIV/00216224:14740/12:00057992 - isvavai.cz</a>

Alternative codes found

RIV/68081723:_____/12:00386323

Result on the web

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DOI - Digital Object Identifier

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Result language

čeština

Original language name

Studium vlivu segregovaných nečistot na magnetismus hranic zrn a povrchů v fcc niklu a kobaltu

Original language description

We present an ab initio study of segregation of 12 nonmagnetic sp impurities (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in ferromagnetic fcc nickel and cobalt. We analyze their effect on structure, magnetic and mechanical properties. We determine the preferred segregation sites of the impurity atoms, their segregation enthalpies and strengthening/embrittling energies with their decomposition into the chemical and mechanical components. In this contribution, we focused on the influence of segregated impurities on the magnetic moments of neighbouring atoms, the changes in the density of states and why the magnetically dead layers may be present in nickel but not in the cobalt.

Czech name

Studium vlivu segregovaných nečistot na magnetismus hranic zrn a povrchů v fcc niklu a kobaltu

Czech description

We present an ab initio study of segregation of 12 nonmagnetic sp impurities (Al, Si, P, S, Ga, Ge, As, Se, In, Sn, Sb and Te) at the Sigma5(210) grain boundary (GB) and (210) free surface (FS) in ferromagnetic fcc nickel and cobalt. We analyze their effect on structure, magnetic and mechanical properties. We determine the preferred segregation sites of the impurity atoms, their segregation enthalpies and strengthening/embrittling energies with their decomposition into the chemical and mechanical components. In this contribution, we focused on the influence of segregated impurities on the magnetic moments of neighbouring atoms, the changes in the density of states and why the magnetically dead layers may be present in nickel but not in the cobalt.

Type

D - Article in proceedings

CEP classification

BM - Solid-state physics and magnetism

OECD FORD branch

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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

2012

Confidentiality

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

Article name in the collection

Sborník doktorské konference: Víceúrovňový design pokrokových materiálů

ISBN

9788087434062

ISSN

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e-ISSN

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Number of pages

8

Pages from-to

25-32

Publisher name

Ústav fyziky materiálů AVČR

Place of publication

Brno

Event location

Brno

Event date

Jan 1, 2012

Type of event by nationality

CST - Celostátní akce

UT code for WoS article

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