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Based on the exact muffin-tin orbitals (EMTOs), we developed a first-principles method to calculate the current operators and investigated the anomalous Hall effect in bcc Fe as an example, with which we successfully separated the skew scattering contribution from the side jump and intrinsic contributions by fitting the scaling law with the introduction of sparse impurities. By investigating the temperature dependence of the anomalous Hall effect in bulk Fe, we predicted a fluctuated anomalous Hall angle as a function of temperature when considering only phonons, which, in the future, can be measured in experiments by suppressing magnon excitation, e.g., by applying a high external magnetic field.
We present a self-consistent electronic structure calculation method based on the {it Exact Muffin-Tin Orbitals} (EMTO) Theory developed by O. K. Andersen, O. Jepsen and G. Krier (in {it Lectures on Methods of Electronic Structure Calculations}, Ed.
Phonon Hall effect (PHE) has attracted a lot of attention in recent years with many theoretical and experimental explorations published. While experiments work on complicated materials, theoretical studies are still hovering around the phenomenon-bas
By the example of sp^3-bonded semiconductors, we illustrate what 3rd-generation muffin-tin orbitals (MTOs) are. We demonstrate that they can be downfolded to smaller and smaller basis sets: sp^3d^10,sp^3, and bond orbitals. For isolated bands, it is
We have derived orbital basis sets from scattering theory. They are expressed as polynomial approximations to the energy dependence of a set of partial waves, in quantized form. The corresponding matrices, as well as the Hamiltonian and overlap matri
Motivated by the recently observed unconventional Hall effect in ultra-thin films of ferromagnetic SrRuO$_3$ (SRO) we investigate the effect of strain-induced oxygen octahedral distortion in the electronic structure and anomalous Hall response of the