Andreas Thore

First-principles calculations of the electronic, vibrational, and elastic properties of the magnetic laminate Mn2GaC

In this paper, we report the by first-principles predicted properties of the recently discovered magnetic MAX phase Mn2GaC. The electronic band structure and vibrational dispersion relation, as wel ...

Phase stability of the nanolaminates V2Ga2C and (Mo1−xVx)2Ga2C from first-principles calculations

We here use first-principles calculations to investigate the phase stability of the hypothetical laminated material V2Ga2C and the related alloy (Mo1–xVx)2Ga2C, the latter for a potential parent material for synthesis of (Mo1–xVx)2C, a new two-dimensional material in the family of so called MXenes.