Abstract

The effect of disorder on the normal state resistivity and the superconducting properties of NbSn is explored in a combination of ab initio calculations and microscopic theory. The crystal symmetry is calculated to be preferentially tetragonal at a normal state resistivity below 27.0 ± 1.4 , and preferentially cubic above this value, which is shown to be consistent with the experimentally observed transition point. The phonon density of states, the Eliashberg spectrum , the electron–phonon coupling constant, the characteristic frequency, the critical temperature Tc, and the upper critical magnetic field at 0 K are calculated over a large normal state resistivity range and shown to be consistent with experimental observations. The high degree of consistency between the calculation results and experimental observations is a strong indication that the calculation approach utilized here, a combination of ab initio calculations and microscopic theory, is a useful tool for understanding the superconducting and normal state properties of NbSn.

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