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Surface termination dependent structural and magnetic properties of (0001) SmCo5 slabs

IR@CECRI: CSIR-Central Electrochemical Research Institute, Karaikudi

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Title Surface termination dependent structural and magnetic properties of (0001) SmCo5 slabs
 
Creator Selva Chandrasekaran, S.
Murugan, P.
Saravanan, P.
Kamat, S.V.
 
Subject Electrochemical Materials Science
 
Description We employ first principles calculations to understand the surface termination dependent structural and magnetic properties of (0001) SmCo5 surface slabs. For our study, three different sub-layer terminated surface slabs, namely Co3– (SmCo2–Co3)n, SmCo2–(Co3–SmCo2)n, and (Co3–SmCo2)n with thicknesses varying from n ¼ 1 to n ¼ 10, are considered. Our results revealed that the Co3 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
 
Publisher Wiley-VCH Verlag Berlin
 
Date 2013
 
Type Article
PeerReviewed
 
Format application/pdf
 
Identifier http://cecri.csircentral.net/3119/1/086-2013.pdf
Selva Chandrasekaran, S. and Murugan, P. and Saravanan, P. and Kamat, S.V. (2013) Surface termination dependent structural and magnetic properties of (0001) SmCo5 slabs. Physica Status Solidi B, 250 (9). pp. 1883-1887. ISSN 0370-1972
 
Relation http://cecri.csircentral.net/3119/