We have investigated the electronic and structural properties of chromia a typical Mott–Hubbard insulator. We considered the antiferromagnetic insulating ground state and the paramagnetic insulating state above the Néel temperature 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
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Research Article| June 01 2001
First principles description of the paramagnetic insulating state of chromia
Alexander Yu. Dobin;
J. Appl. Phys. 89, 7201–7202 (2001)
Alexander Yu. Dobin, Renata M. Wentzcovitch; First principles description of the paramagnetic insulating state of chromia. J. Appl. Phys. 1 June 2001; 89 (11): 7201–7202. https://doi.org/10.1063/1.1359457
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