High-pressure phases ofMg2Sifrom first principles
نویسندگان
چکیده
منابع مشابه
High-pressure phases of FeTiO3 from first principles
The structural, elastic, and electronic properties of the high-pressure FeTiO3 polymorphs and their relative phase stability under pressure are investigated using hybrid exchange density functional theory. For the currently known phases the computed structural and elastic parameters are in good agreement with those observed, as is the predicted stability of the phases. The transformation of the...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2016
ISSN: 2469-9950,2469-9969
DOI: 10.1103/physrevb.93.094109