Tetragonal CuMnAs alloy: role of defects

Abstract

The antiferromagnetic (AFM) CuMnAs alloy with tetragonal structure is a promising material for the AFM spintronics. The resistivity measurements indicate the presence of defects about whose types and concentrations is more speculated as known. We confirmed vacancies on Mn or Cu sublattices and Mn${}_{\mathrm{Cu}}$ and Cu${}_{\mathrm{Mn}}$ antisites as most probable defects in CuMnAs by our new ab initio total energy calculations. We have estimated resistivities of possible defect types as well as resistivities of samples for which the X-ray structural analysis is available. In the latter case we have found that samples with Cu- and Mn-vacancies with low formation energies have also resistivities which agree well with the experiment. Finally, we have also calculated exchange interactions and estimated the Néel temperatures by using the Monte Carlo approach. A good agreement with experiment was obtained.

arXiv comment6 pages, 2 figures, presented on JEMS2018, to be published in JMMM

References in corpus (9)

• Antiferromagnetic spintronics
• Electrical switching of an antiferromagnet
• A method for atomistic spin dynamics simulations: implementation and examples
• Tetragonal phase of epitaxial room-temperature antiferromagnet CuMnAs
• Calculating linear response functions for finite temperatures on the basis of the alloy analogy model
• Route Towards Dirac and Weyl Antiferromagnetic Spintronics
• Calculating the transport properties of magnetic materials from first-principles including thermal and alloy disorder, non-collinearity and spin-orbit coupling
• Realistic finite temperature simulations of magnetic systems using quantum statistics
• Physical properties of the tetragonal CuMnAs: a first-principles study

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• Electrical transport properties of bulk tetragonal CuMnAs
• Antiferromagnetic CuMnAs: Ab initio description of finite temperature magnetism and resistivity
• Single crystal studies and electronic structure investigation of a room-temperature semiconductor NaMnAs
• Twin Domain Structure in Magnetically Doped Topological Insulators