Studium vlivu segregovaných nečistot na magnetismus hranic zrn a povrchů v fcc niklu a kobaltu
| Title in English | Study of influence of segregated impurities on magnetism of grain boundaries and free surfaces in fcc nickel and cobalt |
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| Authors | |
| Year of publication | 2012 |
| Type | Article in Proceedings |
| Conference | Sborník doktorské konference: Víceúrovňový design pokrokových materiálů |
| MU Faculty or unit | |
| 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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