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

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

VŠIANSKÁ Monika VÉMOLOVÁ Hana ŠOB Mojmír

Year of publication 2012
Type Article in Proceedings
Conference Sborník doktorské konference: Víceúrovňový design pokrokových materiálů
MU Faculty or unit

Central European Institute of Technology

Citation
Field Solid matter physics and magnetism
Keywords grain boundary segregation nickel cobalt
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.
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