Phase stability and thermodynamic properties of FeS polymorphs
نویسندگان
چکیده
منابع مشابه
Phase stability and thermodynamic properties of FeS polymorphs
We present a Hubbard-corrected density functional theory investigation of FeS polymorphs based on the quasi-harmonic theory of lattice vibrations. We show that the first temperature transition of troilite FeS cannot involve the MnP-type FeS phase, as sometimes reported in the literature, while the sequence of polymorphs in the pressure range 0–100 GPa at room temperature supports the experiment...
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ژورنال
عنوان ژورنال: Journal of Physics and Chemistry of Solids
سال: 2017
ISSN: 0022-3697
DOI: 10.1016/j.jpcs.2017.07.033