The stability and physical properties of the tetragonal phase of bulk CuMnAs antiferromagnet

The effect of Cu substitution on the stability of the CuMnAs tetragonal phase was studied both experimentally and by ab initio calculations. Polycrystalline samples with various compositions Cu1+xMn1-xAs (x = 0–0.5) were synthetized. The tetragonal phase of CuMnAs is found to be stabilized by substi...

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Bibliographic Details
Published in:Journal of alloys and compounds 2019-01, Vol.771, p.680-685
Main Authors: Uhlířová, Klára, Duverger-Nédellec, Elen, Colman, Ross H., Volný, Jiří, Vondráčková, Barbora, Carva, Karel
Format: Article
Language:English
Subjects:
Antiferromagnet
Antiferromagnetism
Composition
Copper
Crystal structure
CuMnAs
Ferroelectrics
Magnetic permeability
Magnetism
Manganese
Mathematical analysis
Physical properties
Spintronics
Stability
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Summary:The effect of Cu substitution on the stability of the CuMnAs tetragonal phase was studied both experimentally and by ab initio calculations. Polycrystalline samples with various compositions Cu1+xMn1-xAs (x = 0–0.5) were synthetized. The tetragonal phase of CuMnAs is found to be stabilized by substituting Mn by Cu in the amount of x ∼0.1 or higher. This observation is supported by ab initio calculations of the total energy of the tetragonal and orthorhombic phases; with increasing Cu content the tetragonal phase is favoured. Small variations of composition thus allow to grow selectively one of these two phases with distinct and unique features for antiferromagnetic spintronics. Measurements of magnetic susceptibility and differential scanning calorimetry have shown that the tetragonal Cu1+xMn1-xAs has an antiferromagnetic behaviour with the maximum Néel temperature TN = 507 K for the highest Mn content samples, decreasing with the decreasing Mn content. •Cu excess stabilizes the tetragonal phase of Cu1+xMn1-xAs compounds.•The formation of tetragonal or orthorhombic structure is sensitive to the overall variation of composition.•The tetragonal Cu1.02Mn0.99As0.99 has the Néel temperature TN = 507 K significantly higher than the orthorhombic CuMnAs.
ISSN:0925-8388
1873-4669
DOI:10.1016/j.jallcom.2018.08.199