Electronic Structure and X-Ray Magnetic Circular Dichroism in Sm-Doped Bi2Se3 |
| V.N. Antonova,b, L.V. Bekenova, S. Ubab and A. Ernstc,d
aG.V. Kurdyumov Institute for Metal Physics of the N.A.S. of Ukraine, 36 Vernadsky Street, 03142 Kiev, Ukraine bFaculty of Mathematics and Informatics, University of Bialystok, K. Ciolkowskiego 1M, PL-15-245 Bialystok, Poland cMax-Planck Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle dInstitut für Theoretische Physik, Johannes Kepler Universität, A 4040 Linz, Austria |
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| We studied the structural, electronic, and magnetic properties of Sm-doped Bi2Se3 using a GGA approximation in a frame of the fully relativistic spin-polarized Dirac linear muffin-tin orbital band-structure method. The X-ray absorption spectra (XAS) and X-ray magnetic circular dichroism at the Sm M4,5 edges were investigated theoretically from first principles. The calculated results are in good agreement with experimental data. The complex fine structure of the Sm M4,5 XAS in Sm-doped Bi2Se3 was found to be not compatible with a pure Sm3+ valency state. The interpretation demands mixed valent states. |
DOI: 10.12693/APhysPolA.133.453 PACS numbers: 75.50.Cc, 71.20.Lp, 71.15.Rf |