Magnetism and stability interplay: Correlations in simple BCC-based Fe intermetallic compounds
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- 作者：Clá ; udio G. Schö ; na ; schoen@usp.br" class="auth_mail" title="E-mail the corresponding author ; Arles V. Gil Rebazab ; c ; arlesv@fisica.unlp.edu.ar" class="auth_mail" title="E-mail the corresponding author ; Victoria I. Ferná ; ndezb ; victoria@fisica.unlp.edu.ar" class="auth_mail" title="E-mail the corresponding author ; Luiz T.F. Elenoe ; d ; luizeleno@usp.br" class="auth_mail" title="E-mail the corresponding author ; Pablo G. Gonzales-Ormeñ ; of ; pgonzales@untecs.edu.pe" class="auth_mail" title="E-mail the corresponding author ; Leonardo A. Erricob ; g ; errico@fisica.unlp.edu.ar" class="auth_mail" title="E-mail the corresponding author ; Helena M. Petrillie ; hmpetril@if.usp.br" class="auth_mail" title="E-mail the corresponding author
- 关键词：Ferromagnetism ; Phase equilibria ; First principles ; Enthalpy of formation ; Body-centered cubic lattice
- 刊名：Journal of Alloys and Compounds
- 出版年：2016
- 出版时间：15 December 2016
- 年：2016
- 卷：688
- 期：part_PB
- 页码：337-341
- 全文大小：648 K
文摘
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Magnetic compounds, higher total magnetic moment implies lower stability.
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Non-magnetic compounds, stability decreases with increasing atom size misfit.
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Local iron moment does not correlate with the formation enthalpy.
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Iron magnetic moment is defined by the nearest neighborhood.
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The role of thermodynamics reference states has been rediscussed.