Strain-Induced Néel Temperature Enhancement in Corundum-Type Cr2O3 and Fe2O3

Strain-Induced Néel Temperature Enhancement in Corundum-Type Cr2O3 and Fe2O3

The effect of strain on Néel temperature in corundum-type Cr 2 O 3 and Fe 2 O 3 was theoretically studied. We calculated the exchange coupling constants up to the fifth-nearest neighbors using the first-principles density functional method and evaluated the Néel temperature using Monte Carlo simulat...

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Veröffentlicht in:Applied physics express 2013-11, Vol.6 (11), p.113007-113007-4
Hauptverfasser: Kota, Yohei, Imamura, Hiroshi, Sasaki, Munetaka
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Imamura, Hiroshi
Sasaki, Munetaka
description The effect of strain on Néel temperature in corundum-type Cr 2 O 3 and Fe 2 O 3 was theoretically studied. We calculated the exchange coupling constants up to the fifth-nearest neighbors using the first-principles density functional method and evaluated the Néel temperature using Monte Carlo simulation of the classical Heisenberg model. We showed that the Néel temperature is enhanced (decreased) by tensile (compressive) strain along the $c$-axis. The Néel temperatures of Cr 2 O 3 and Fe 2 O 3 are enhanced more than 20 and 7% by 5% strain of the crystal lattice, respectively.
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title Strain-Induced Néel Temperature Enhancement in Corundum-Type Cr2O3 and Fe2O3
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