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Weak ferromagnetism in antiferromagnets: Fe$_{2}$O$_{3}$ and La$_{2}$CuO$_{4}$
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abstract
The problem of weak ferromagnetism in antiferromagnets due to canting of magnetic moments was treated using Green's function technique. At first the eigenvalues and eigenfunctions of the electronic Hamiltonian corresponding to collinear magnetic configuration are calculated which are then used to determine first and second variations of the total energy as a function of the magnetic moments canting angle. Spin-orbit coupling is taken into account via perturbation theory. The results of calculations are used to determine an effective spin Hamiltonian. This Hamiltonian can be mapped on conventional spin Hamiltonian that allows to determine parameters of isotropic and anisotropic (Dzyaloshinskii-Moriya) exchange interactions. The method was applied to the typical antiferromagnets with weak ferromagnetism Fe$_{2}$O$_{3}$ and La$_{2}$CuO$_{4}$. The obtained directions and values of the magnetic moments canting angles are in a reasonable agreement with experimental data.
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Jsymm: A Python package for symmetry analysis of exchange tensors in magnetic Hamiltonians
Jsymm derives the most general symmetry-compatible magnetic exchange tensors for all symmetry-related bonds directly from a crystal structure file.
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