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- W2158124310 abstract "We have successfully calculated the electronic and structural properties of chromia $({mathrm{Cr}}_{2}{mathrm{O}}_{3})$ in the local spin density approximation. We predict a transformation from the corundum to the ${mathrm{Rh}}_{2}{mathrm{O}}_{3}$ (II) structure around 15 GPa in the antiferromagnetic (AFM) phase as well as in the paramagnetic (PM) insulating state which occurs above the N'eel temperature ${(T}_{N}).$ This transition is relevant to interpreting the optical anomalies observed in the absorption spectrum of ruby under pressure. We have modeled the structural properties of the PM state using a Landau-like expansion of the magnetostriction energy. This treatment correctly describes the structural anomalies across ${T}_{N}$ in the corundum phase and indicates that the AFM and PM insulating states should have distinct compressive behaviors." @default.
- W2158124310 created "2016-06-24" @default.
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- W2158124310 date "2000-11-01" @default.
- W2158124310 modified "2023-10-16" @default.
- W2158124310 title "Magnetostructural effects and phase transition in<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>Cr</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant=normal>O</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>under pressure" @default.
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- W2158124310 doi "https://doi.org/10.1103/physrevb.62.11997" @default.
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