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Surface termination dependent structural and magnetic properties of (0001) Sm C o 5 slabs
Author(s) -
Chandrasekaran S. Selva,
Murugan P.,
Saravanan P.,
Kamat S. V.
Publication year - 2013
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.201248566
Subject(s) - slab , materials science , surface (topology) , magnet , condensed matter physics , layer (electronics) , structural stability , surface layer , polarization (electrochemistry) , composite material , chemistry , geometry , physics , structural engineering , mathematics , quantum mechanics , engineering , geophysics
We employ first principles calculations to understand the surface termination dependent structural and magnetic properties of (0001) SmCo 5 surface slabs. For our study, three different sub‐layer terminated surface slabs, namely Co 3 –(SmCo 2 –Co 3 ) n , SmCo 2 –(Co 3 –SmCo 2 ) n , and (Co 3 –SmCo 2 ) n with thicknesses varying from n = 1 to n = 10, are considered. Our results revealed that the Co 3 sub‐layer terminated surface slab (first case) has higher structural stability, spin polarization, and work function when compared to the other two cases and such terminated surface slabs can be potentially used for fabricating exchange‐coupled magnets.