Electrical conductivity plus probability of superconductivity in α-CuSe/klockmannite; bulk and nano-layers

In this paper, a computational study is carried out on unusual electrical conductivity of α-CuSe compound in the bulk state and its nano-layers (NLs). The property is studied by using Full-potential calculations and the Boltzmann transport equation assuming a suitable temperature-dependent relaxation time for charge carriers. The dependence of electrical conductivity per temperature changes is considered from 80 up to 330 K as well as separately in low-temperature. Our results show that CuSe has a high anisotropy electrical conductivity meaning that the in-plane conductivity is very good, with high hole transport but the z-axis transport is completely different, with two types of electron and hole carriers. By considering the curves of electrical conductivity in low-temperature and again reviewing the experimental data, we predict probability of occurrence of a superconductivity phase transition in this compound in a temperature about 3 K. This possibility has been discussed by assuming a simple model. In continuation of our previous work, we calculate the values of electrical conductivity of the most stable NLs of CuSe. Our results show that the electrical conductivity of NLs in x (or y) direction is nearly 106 orders of magnitude than z direction. Therefore, the NLs have very good hole conductive in x (or y) direction but their conductivity is ultra-low in z-axis.