Density Functional Calculations of Pressure-Induced Phase Transformations of Group II Element Nitrides, Nitridosilicates and Nitridophosphates
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چکیده
منابع مشابه
A density functional study of the high-pressure chemistry of MSiN2 (M = Be, Mg, Ca):
Normal pressure modifications and tentative high-pressure phases of the nitridosilicates MSiN2 with M = Be, Mg, or Ca have been thoroughly studied by density functional methods. At ambient pressure, BeSiN2 and MgSiN2 exhibit an ordered wurtzite variant derived from idealized filled β-cristobalite by a C1-type distortion. At ambient pressure, the structure of CaSiN2 can also be derived from idea...
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تاریخ انتشار 2008