Electronic topological transition in metastable Al–Ge solid solutions

Abstract

Al-rich Al–Ge solid solutions synthesized under high pressure demonstrate physical properties strikingly different from those of pure Al. In particular, enhanced superconductivity temperature ( T c), anomalies in the phonon spectra and decrease of the Debye temperature have been observed. We show from first-principles, based on calculations of the electronic spectra and Fermi surfaces of Al–Ge substitutional solid solutions, that an electronic topological transition (ETT) takes place in the system. We predict anomalies in transport properties to be revealed experimentally for Al–Ge solid solutions with the Ge concentration ≈10 at.%. The influence of the ETT on the thermodynamic properties of the system is discussed and, in particular, concentration dependence of the Debye temperature is reproduced in good agreement with experiment.