Effect of activation volume on the defect-induced anomalous electronic transport in \(\mathrm{Rb}_{0.8}\mathrm{Fe}_2\mathrm{Se}_2\) (Q460940)

The paper presents the transition-state (TS) approach based on the quantum chemistry via the hole-or-vacancy-induced transport developed by Eyring to study the hole (or defect)-induced superconductivity (SC). As an example, two samples with the same composition Rb0.8Fe2Se2 processed by the same technique but with different precursor routes are treated. One of them is a superconductive with onset temperature 31 K, but the other behaves like a narrow gap semiconductor. The author focuses on the onset temperature of the SC considering the almost zero resistance below the temperature. The effect of the activation volume upon the defect-induced SC is demonstrated as well as the chemical doping of the samples. The theoretical consideration is based on the Eyring's model of stress-based thermal activation, in which structural rearrangement is associated with a single energy barrier that is lowered or raised linearly by a shear stress. With this aim, the shear strain rate is calculated by using the boundary perturbation approach. By considering the forcing parameter (since the force balance gives the shear stress), it is fixed with different temperatures. As a result, a unique relationship is found between the activation volume and the temperature at a fixed shear stress. By using the details of dependence of electrical resistivity on the temperature, the approach identifies the onset temperature of the SC after calibrating some physical and geometrical parameters. Numerically, the author compares his results with those electrical resistivity measurements for compound Rb0.8Fe2Se2. The numerical results allow one to understand that below the onset temperature at zero shear stress the external forcing or electric field could be absent due to the persistent current occurring. After verification of the chemical doping effect, the effect due to a small amount of defects (vacancy or hole) on the transport of many electrons is demonstrated. Moreover, the approach allows one to demonstrate at tuning of different activation volumes the possible semiconducting phase of Rb0.8Fe2Se2 at low temperature.