[Kovove materialy - Metallic materials]
    Wed - November 13, 2024 - 18:59 No. of hits : 1798066 ISSN 1338-4252 (online) ISSN 0023-432X (printed)
© Institute of Materials and Machine Mechanics, Slovak Academy of Sciences, Bratislava, Slovak Republic

VOLUME 38 (2000), Issue 4

Electronic structure and magnetic properties of iron by ab initio calculations: recent advances
SOB, M., FRIAK, M.
vol. 38 (2000), no. 4, pp. 225 - 238

Abstract
Recent results of ab initio electronic structure calculations in iron are reviewed and their application to studies of magnetic properties, phase stability and extended defects is demonstrated. A special attention is paid to the bcc-hcp and bcc-fcc transformation paths and to the changes of magnetic ordering during those transformations. The role of ab initio calculations in atomistic modelling of extended defects such as grain boundaries, interphase interfaces, etc., is discussed.

Key words
electronic structure, magnetic properties, magnetic moments, first-principles electronic structures calculations

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Full title of this journal is bilingual: Kovové materiály - Metallic Materials.
The official abbreviation in accordance with JCR ISI is Kovove Mater.


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