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• W1873358701 abstract "The structural, elastic, and electronic properties of the high-pressure $mathrm{Fe}mathrm{Ti}{mathrm{O}}_{3}$ 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 perovskite polymorph to a new high-pressure polymorph with space group $Cmcm$ is predicted to occur at 44 GPa at 0 K." @default.
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• W1873358701 date "2005-07-19" @default.
• W1873358701 modified "2023-10-16" @default.
• W1873358701 title "High-pressure phases of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>Fe</mml:mi><mml:mi>Ti</mml:mi><mml:msub><mml:mi mathvariant=normal>O</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math>from first principles" @default.
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• W1873358701 doi "https://doi.org/10.1103/physrevb.72.024110" @default.
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