Electronic structure and x-ray magnetic circular dichroism in cr-doped 
topological insulator Bi2Se3

Antonov, V. N.; Bekenov, L. V.; Ernst, Arthur

doi:10.1063/10.0016485

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Electronic structure and x-ray magnetic circular dichroism in cr-doped topological insulator Bi₂Se₃

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Ernst, Arthur
Nano-Systems from Ions, Spins and Electrons, Max Planck Institute of Microstructure Physics, Max Planck Society;

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https://doi.org/10.1063/10.0016485
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Citation

Antonov, V. N., Bekenov, L. V., & Ernst, A. (2023). Electronic structure and x-ray magnetic circular dichroism in cr-doped topological insulator Bi₂Se₃. Low Temperature Physics, 49(1), 120-129. doi:10.1063/10.0016485.

Cite as: https://hdl.handle.net/21.11116/0000-000C-96AA-B

Abstract

We have studied the structural, electronic, and magnetic properties of the Cr-doped topological insulator Bi2Se3 within the density functional theory using the generalized gradient approximation in the framework of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The X-ray absorption spectra and X-ray magnetic circular dichroism at the Cr K and L_2,3 edges have been investigated theoretically from the first principles. The calculated results are in good agreement with the experimental data. The complex fine structure of the Cr L_2,3 X-ray absorption spectra in Cr-doped Bi₂Se₃ has been found to be not compatible with a Cr²⁺ valency state. Its interpretation demands a mixed valent state.