Anomalous lattice contraction and emerging topological phases in Bi-substituted Sm2Ir2O7.

ABSTRACT

We demonstrate that substituting Bi for Sm in the pyrochlore Sm$_2$Ir$_2$O$_7$ induces an anomalous lattice contraction, with $\Delta a \sim -0.012$~\AA~observed at 10\% Bi substitution, where 'a' denotes the lattice constant. Beyond 10\% Bi substitution, the lattice expands according to Vegard's law. Within this anomalous substitution range, the resistivity shows a 1/T behavior up to 2\% Bi-substitution, while near 10\% substitution a -lnT dependence is observed. These resistivity behaviors suggest the possibility of a Weyl phase up to 2\% Bi substitution, which transforms to a semimetallic quadratic band touching (QBT) topological phase near 10\%. For the intermediate composition (Sm$_{0.95}$Bi$_{0.05}$)$_2$Ir$_2$O$_7$, the resistivity scales as $\rm 1/T^{1/4}$, possibly due to its proximity to a proposed quantum critical point at the Weyl-QBT phase boundary [Phys. Rev. X 4, 041027 (2014)]. The samples were characterized using synchrotron powder X-ray diffraction, X-ray near-edge fine structure (XANES), and Extended X-ray absorption fine structure (EXAFS) probes. Additionally, magnetic susceptibility and heat capacity measurements were conducted to provide further support.