Electronic band structure and Fermi surface for new
layered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_2$ in comparison with
parent phase LaOFBiS$_2$ from first principles
Abstract:
By means of first-principles calculations, we have probed the
peculiarities of the electronic band structure and Fermi surface for the
recently discovered layered superconductor LaO$_{0.5}$F$_{0.5}$BiS$_2$ in
comparison with the parent phase LaOBiS$_2$. The electronic factors promoting
the transition of LaOBiS$_2$ upon fluorine doping to superconducting state:
inter-layer charge transfer, the evolution of the Fermi surface, and the
dependence of the near-Fermi densities of states on $x$ for
LaO$_{1-x}$F$_x$BiS$_2$ are
evaluated and discussed in comparison with the available experiments.
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