Double-helix magnetic order in CrAs with Pnma space group

Abstract

The transition metal pnictide CrAs exhibits superconductivity in the vicinity of a helimagnetic phase, where it has been found that the propagation vector is parallel to the c axis and the magnetic moments lie in the ab plane. Here we use ab initio calculations to study the magnetic interactions in the material. Mapping onto a Heisenberg Hamiltonian, we calculate the magnetic exchanges by using LDA+U calculations and we unveil the origin of the magnetic frustration. Finally, we reproduce the double helix magnetic order with a propagation vector Q = (0, 0, 0.456) and we obtain the magnetic transition temperature TN through Monte-Carlo simulations of the specific heat. Due to the limitations of the use of the Heisenberg Hamiltonian for itinerant magnetic systems, the theoretical TN underestimated the experimental value of the pure CrAs. However, our results are in good agreement with those found for the alloy CrAs0.5Sb0.5 belonging to the same space group, showing that our result can describe this material class.

arXiv comment6 pages, 4 figures, 1 table

References in corpus (22)

• Linear spin wave theory for single-Q incommensurate magnetic structures
• A method for atomistic spin dynamics simulations: implementation and examples
• Superconductivity in the vicinity of antiferromagnetic order in CrAs
• Superconductivity in quasi-one-dimensional K${}_2$Cr${}_3$As${}_3$ with significant electron correlations
• Pressure induced superconductivity on the border of magnetic order in MnP
• Unconventional superconductivity in quasi-one-dimensional Rb${}_2$Cr${}_3$As${}_3$
• Superconductivity in quasi-one-dimensional Cs2Cr3As3 with large interchain distance
• Structural and Magnetic Phase Diagram of CrAs and its Relationship with Pressure-induced Superconductivity
• Quasilinear quantum magnetoresistance in pressure-induced nonsymmorphic superconductor CrAs
• Pressure dependence of the magnetic order in CrAs: a neutron diffraction investigation
• Magnetic Pitch as a Tuning Fork for Superconductivity
• First principles study of structural, magnetic and electronic properties of CrAs
• Mechanism of structural phase transitions in KCrF3
• Superconductivity in the WP single crystal
• Momentum-resolved spin splitting in Mn-doped trivial CdTe and topological HgTe semiconductors
• Superexchange dominates in magnetic topological insulators
• Spin-orbit coupling effects on the electronic properties of the pressure-induced superconductor CrAs
• Role of Square Planar Coordination in the Magnetic Properties of Na4IrO4
• Disclosing antiferromagnetism in tetragonal Cr2O3 by electrical measurements
• Intra-chain collinear magnetism and inter-chain magnetic phases in Cr3As3-K-based materials
• Optimizing the tight-binding parametrization of the quasi-one-dimensional superconductor K2Cr3As3
• Spatially modulated, orbital selective ferromagnetism in La${}_5$Co${}_2$Ge${}_3$

Cited by in corpus (1)

• Dimensionality of the superconductivity in the transition metal pnictide WP