13 citations · 52 across the 15 of their papers we have counts for
15 papers
First principles prediction of the solar cell efficiency of chalcopyrite materials AgMX2 (M=In,Al; X=S, Se,Te)
GM Dongho-Nguimdo, Emanuel Igumbor, Serges Zambou +1
Using the Spectroscopic Limited Maximum Efficiency, and Shockley and Queisser predictor models, we compute the solar efficiency of the chalcopyrites AgMX2(M=In,Al;X=S,Se,Te). The r…
Exact Kohn-Sham Density Functional Theory on a Lattice
Kossi Amouzouvi, Daniel Joubert
We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site…
Computational study of the structural, electronic and optical properties of bulk palladium nitrides
Mohammed S. H. Suleiman, Daniel P. Joubert
The atomic and electronic structures of Pd3N, PdN and PdN2 were investigated using ab initio density-functional theory (DFT). We studied cohesive energy vs. volume equation of stat…
Quantum mechanical ab initio calculations of the structural, electronic and optical properties of bulk gold nitrides
Mohammed S. H. Suleiman, Daniel P. Joubert
In the present work, the atomic and the electronic structures of Au3N, AuN and AuN2 are investigated using first-principles density-functional theory (DFT). We studied cohesive ene…
Structural, electronic and optical characterization of bulk platinum nitrides: a first-principles study
Mohammed S. H. Suleiman, Daniel P. Joubert
We present a detailed quantum mechanical non empirical DFT investigation of the energy-optimized geometries, phase stabilities and electronic properties of bulk Pt3N, PtN and PtN2…
Theoretical calculations on the structural, electronic and optical properties of bulk silver nitrides
Mohammed S. H. Suleiman, Daniel P. Joubert
We present a first-principles investigation of structural, electronic and optical properties of bulk crystalline Ag3N, AgN and AgN2 based on density functional theory (DFT) and man…