Fully analytic valence force fields for the relaxation of group-IV semiconductor alloys: elastic properties of group-IV materials calculated from first principles

Daniel S. P. Tanner, Christopher A. Broderick, Amy C. Kirwan +2

Si${}_y$Ge${}_{1-x-y}$(C,Sn,Pb)${}_x$ alloys have attracted significant attention as a route to achieve a direct-gap group-IV semiconductor. Using density functional theory (DFT) - e…