Grain boundary relaxation and reconstruction: effect on local magnetic moment

Grain boundary relaxation and reconstruction: effect on local magnetic moment

We present a detailed numerical study on structure and local magnetic properties of 〈100〉 symmetric tilt grain boundaries in bcc-iron. Particular attention is paid to connection between type of grain boundary relaxation and local magnetic properties. Results from first principles calculation showed...

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Bibliographic Details
Main Authors: E. Vitkovská, P. Ballo
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2016-12-01
Series:Condensed Matter Physics
Subjects:
iron
grain boundary
relaxation
reconstruction
magnetic moment
optimization
Online Access:http://dx.doi.org/10.5488/CMP.19.43603

Internet

http://dx.doi.org/10.5488/CMP.19.43603

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