Abstract
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 similar to 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 Neel temperature T-N = 507 K for the highest Mn content samples, decreasing with the decreasing Mn content. (C) 2018 Elsevier B.V.
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