We study the electronic properties of the FeSe1−xTex system (x=0, 0.25, 0.5, 0.75, and 1) from the perspective of X-ray spectroscopy and density functional theory (DFT). The analysis performed on the density of states reveals marked differences in the distribution of the 5p states of Te for x>0. We think that this finding can be associated with the fact that superconductivity is suppressed in FeTe. Moreover, using resonant inelastic X-ray scattering, we estimate the spin state of our system which can be correlated to the magnetic order. We find that the spin state of the FeSe1−xTex system fluctuates, as a function of x, between S=0 and S=2 with Fe in FeSe in the highest spin state. Finally, our DFT calculations nicely reproduce the X-ray emission spectra performed at the Fe L-edge (which probe the occupied states) and suggest that the FeSe1−xTex system can be considered at most as a moderately correlated system.
@article{arxiv.1312.5405,
title = {Electronic Structure of $\textrm{Fe}\textrm{Se}_{1-x}\textrm{Te}_x$ Studied by X-ray Spectroscopy and Density Functional Theory},
author = {I. Perez and J. A. Mcleod and R. J. Green and R. Escamilla and V. Ortiz and A. Moewes},
journal= {arXiv preprint arXiv:1312.5405},
year = {2014}
}
Comments
5 figures, 27 pages. Article accepted in The Journal of Physical Chemistry C