Studium vlivu segregovaných nečistot na magnetismus hranic zrn a povrchů v fcc niklu a kobaltu
| Autoři | |
|---|---|
| Rok publikování | 2012 |
| Druh | Článek ve sborníku |
| Konference | Sborník doktorské konference: Víceúrovňový design pokrokových materiálů |
| Fakulta / Pracoviště MU | |
| Citace | |
| Obor | Fyzika pevných látek a magnetismus |
| Klíčová slova | grain boundary segregation nickel cobalt |
| Popis | 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. |
| Související projekty: |