Grain boundary relaxation and reconstruction: effect on local magnetic moment

• Published in: Condensed Matter Physics
• Date: 2016
• Main Authors: Vitkovská, E., Ballo, P.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/156550
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Grain boundary relaxation and reconstruction: effect on local magnetic moment / E. Vitkovská, P. Ballo // Condensed Matter Physics. — 2016. — Т. 19, № 4. — С. 43603: 1–10. — Бібліогр.: 28 назв. — англ.

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 showe...