Structural, electronic and magnetic properties and pressure-induced half metallicity in double perovskite Ca^sub 2^AOsO^sub 6^ (A?=?Cr, Mo)

Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is...

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Bibliographic Details
Published in:Journal of magnetism and magnetic materials 2018-12, Vol.467, p.145
Main Authors: Zu, Ningning, Li, Rui, Ai, Ruibo
Format: Article
Language:English
Subjects:
Calcium
Chromium
Crystal structure
Density functional theory
External pressure
Ferrimagnetism
Magnetic fields
Magnetic properties
Metallicity
Molybdenum
Perovskites
Temperature effects
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Summary:Ca2CrOsO6 was synthesized recently and measured to be an insulating ferrimagnet with a high magnetic ordering temperature of 490 K. To design a half metal, we substituted Cr with Mo and performed an investigation on Ca2AOsO6 (A = Cr, Mo) by using the density functional theory. However, Ca2MoOsO6 is an insulator with a small band gap in one spin direction. By applying external pressure, the small gap can be closed, making Ca2MoOsO6 a compensated half metal. The estimated Tc for Ca2MoOsO6 under pressure is higher than the room temperature. Therefore, we expect that Ca2MoOsO6 would be promising compound for spintronic devices.
ISSN:0304-8853
1873-4766