Study of the 1:2 region of Fe-Si system: The interplay between α − and β − FeSi 2статья
Статья опубликована в высокорейтинговом журнале
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Дата последнего поиска статьи во внешних источниках: 20 мая 2017 г.
Аннотация:Recent X-ray and Mossbauer experiments have shown that mechanical alloying of iron with silicon in the Si-rich part of the phase diagram produces disilicides: a − FeSi2 at an early stage and b − FeSi2 later. In order to study the structure of the alloys in detail, density-functional calculations are conducted for b −FeSi2 with and without vacancies. The formation of a metastable a − FeSi2 instead of the equilibrium b − FeSi2 at low temperatures in many experiments is explained, and the conditions, under which the desired phase (metallic a or semiconducting b, or their combination) is formed, are specified.