Ma, C. L.; Picozzi, S.; Wang, X.; Yang, Z. Q. - In: The European Physical Journal B - Condensed Matter and … 59 (2007) 3, pp. 297-303
The electronic structures (especially 4f states) of hexagonal and tetragonal erbium silicides are investigated within density functional theory. Contrary to previous theoretical studies on these compounds, Er 4f electrons are treated as valence state electrons, explicitly taking into account the...