Prediction of phonon-mediated superconductivity and charge density wave in charge doped 1T-HfTe2

Using first-principle calculations, we simulated and investigated the effects of electron and hole doping on the electronic properties of Hafnium Ditelluride (1T-HfTe2). Electron doping induces superconductivity and a (2 x 2) charge density wave (CDW) instability. On hole doping superconductivity was induced and a phase transition to a metallic state. Our findings have revealed the possibility of tuning 1T-HfTe2 electronic properties via manipulating the carrier charge of the material. (C) 2020 Elsevier B.V. All rights reserved.