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cond-mat.mtrl-sci2012★ 20 cited
Prediction of topological insulating behavior in Hg2CuTi-type Heusler compounds from first principles
X. M. Zhang, W. H. Wang, E. K. Liu +3
The topological band structures of the X2YZ Heusler compounds with the Hg2CuTi structure are investigated by using first-principles calculations within density functional theory. O…
cond-mat.mtrl-sci2012★ 20 cited
Generalized Slater-Pauling rule for the inverse Heusler compounds
S. Skaftouros, K. Ozdogan, E. Sasioglu +1
We present extensive first-principles calculations on the inverse full-Heusler compounds having the chemical formula XYZ where (X = Sc, Ti, V, Cr or Mn), (Z = Al, Si or As) and…