Figure 2: Electronic structure and optical properties of TaIrGe.

(a) Band structure of TaIrGe. The two approximately parallel valence and conduction bands are highlighted by green giving a gap around 3.1 eV. (b) Angular momentum and site decomposed partial density of states in TaIrGe. (c) Calculated optical absorption coefficient. The black vertical line indicates the predicted minimum band gap. (d) Wavefunction square of the VBM state located at L valley in TaIrGe (isosurface at ).