Electronic Structure and X-Ray Magnetic Circular Dichroism in Sm-Doped Bi2Se3
Sprache des Titels:
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 Xray
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.