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@article{953207,
author = {Všianská, Monika and Šob, Mojmír},
article_number = {1},
doi = {http://dx.doi.org/10.1103/PhysRevB.84.014418},
keywords = {magnetically dead layers; sp-impurity-decorated grain boundaries and surfaces; nickel},
language = {eng},
issn = {1098-0121},
journal = {Physical Review B},
title = {Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel},
url = {http://link.aps.org/doi/10.1103/PhysRevB.84.014418},
volume = {84},
year = {2011}
}
TY - JOUR
ID - 953207
AU - Všianská, Monika - Šob, Mojmír
PY - 2011
TI - Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel
JF - Physical Review B
VL - 84
IS - 1
SP - "014418-1"-"014418-5"
EP - "014418-1"-"014418-5"
PB - The American Phys. Society
SN - 10980121
KW - magnetically dead layers
KW - sp-impurity-decorated grain boundaries and surfaces
KW - nickel
UR - http://link.aps.org/doi/10.1103/PhysRevB.84.014418
L2 - http://link.aps.org/doi/10.1103/PhysRevB.84.014418
N2 - With the help of ab initio electronic structure calculations, we study segregation of the sp elements (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 fcc FM nickel. Whereas there is a slight enhancement of magnetization at the clean GB and FS with respect to bulk nickel (3–7% and 24%, respectively), most of these impurities nearly kill or substantially reduce the magnetic moments at the FS and, when segregating interstitially at the GB (i.e., Si, P, S, Ge, As, and Se), they produce magnetically dead layers at the boundary. We demonstrate that the existence of magnetically dead layers is a common phenomenon at the sp-impurity-decorated GB and FS in nickel. It is caused by a strong hybridization of sp states of the impurities with the d states of nickel and a redistribution of electron states in both majority and minority bands.
ER -
VŠIANSKÁ, Monika a Mojmír ŠOB. Magnetically dead layers at sp-impurity-decorated grain boundaries and surfaces in nickel. \textit{Physical Review B}. The American Phys. Society, 2011, roč.~84, č.~1, s.~''014418-1''-''014418-5'', 5 s. ISSN~1098-0121. Dostupné z: https://dx.doi.org/10.1103/PhysRevB.84.014418.
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