First principles description of the paramagnetic insulating state of chromia

Alexander Yu Dobin; Renata M. Wentzcovitch

doi:10.1063/1.1359457

First principles description of the paramagnetic insulating state of chromia

Alexander Yu Dobin, Renata M. Wentzcovitch

Materials Research Science & Engineering Center

Research output: Contribution to journal › Conference article › peer-review

4 Scopus citations

Abstract

We have investigated the electronic and structural properties of chromia (Cr₂O₃), a typical Mott-Hubbard insulator. We considered the T=0 K antiferromagnetic insulating ground state and the paramagnetic insulating state above the Néel temperature (T_N). Our treatment of the latter resembles in principle a virtual crystal model of the random spins insulator and describes reasonably well the compressive behavior of chromia above and the structural anomalies across T_N.

Original language	English (US)
Pages (from-to)	7201-7202
Number of pages	2
Journal	Journal of Applied Physics
Volume	89
Issue number	11 II
DOIs	https://doi.org/10.1063/1.1359457
State	Published - Jun 1 2001
Event	8th Joint Magnetism and Magnetic Materials-Intermag Conference - San Antonio, TX, United States Duration: Jan 7 2001 → Jan 11 2001

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AB - We have investigated the electronic and structural properties of chromia (Cr2O3), a typical Mott-Hubbard insulator. We considered the T=0 K antiferromagnetic insulating ground state and the paramagnetic insulating state above the Néel temperature (TN). Our treatment of the latter resembles in principle a virtual crystal model of the random spins insulator and describes reasonably well the compressive behavior of chromia above and the structural anomalies across TN.

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First principles description of the paramagnetic insulating state of chromia

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