44 citations · 120 across the 13 of their papers we have counts for
4 papers · 1 filter
Comments on "Efficient Band Gap Prediction for Solids" [Phys. Rev. Lett. 105, 196403 (2010)]
D. Bagayoko, G. L. Zhao, L. Franklin +1
An oversight of several previous local density approximation (LDA) results appears to have led to an incomplete picture of the actual capability of density functional theory (DFT),…
Ab Initio Local Density Approximation Description of the Electronic Properties of Zinc Blende Cadmium Sulfide (zb-CdS)
C. E. Ekuma, L. Franklin, G. L. Zhao +2
Ab-initio, self-consistent electronic energy bands of zinc blende CdS are reported within the local density functional approximation (LDA). Our first principle, non-relativistic an…
Local Density Approximation Description of Electronic Properties of Wurtzite Cadmium Sulfide (w-CdS)
E. C. Ekuma, L. Franklin, G. L. Zhao +2
We present calculated, electronic and related properties of wurtzite cadmium sulfide (w-CdS). Our ab-initio, non-relativistic calculations employed a local density functional appro…
Ab-initio Electronic and Structural Properties of Rutile Titanium Dioxide
C. E. Ekuma, D. Bagayoko
Ab-initio, self-consistent electronic energy bands of rutile TiO2 are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and gr…