Magnetostructural effects and phase transition in Cr_2O_3 under pressure

Dobin, Alexander Yu, Duan, Wenhui, Wentzcovitch, Renata M (June 2000) Magnetostructural effects and phase transition in Cr_2O_3 under pressure. (Submitted)

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We have successfully calculated the electronic and structural properties of chromia (Cr2O3) in the local spin density approximation. We predict a transformation from the corundum to the Rh2O3(II) structure around 15 GPa in the antiferromagnetic (AFM) phase as well as in the paramagnetic (PM) insulating state which occurs above the Néel temperature (TN). 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 TN in the corundum phase and indicates that the AFM and PM insulating states should have distinct compressive behaviors.

Item Type: Paper
CSHL Authors:
Communities: CSHL labs > Dobin Lab
SWORD Depositor: CSHL Elements
Depositing User: CSHL Elements
Date: 14 June 2000
Date Deposited: 13 Oct 2023 14:30
Last Modified: 13 Oct 2023 14:30
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