C. Songa

most citedLow Born effective Charges, High Covalency and Strong Optical Activity in

X_{3}^{2 +}

^{3 -}

^{3 -}

(

X

=Ca,Sr,Ba)

in v er se

-perovskites

1 citations · 1 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2022★ 1 cited

Low Born effective Charges, High Covalency and Strong Optical Activity in $X_{3}^{2 +}$ Bi $^{3 -}$ N $^{3 -}$ ( $X$ =Ca,Sr,Ba) $in v er se$ -perovskites

Jasmine Wakini, Carolyne Songa, Stephen Chege +6

We compute for the first time a complete charge analysis (Bader and Born effective) on $X_{3}^{2 +}$ Bi $^{3 -}$ N $^{3 -}$ ( $X$ =Ca,Sr,Ba). The crystals show a great electron sharing with l…

physics.comp-ph2020

Ab initio study on Quasi-Binary Acetonitriletriide Sr $_{3}$ [C $_{2}$ N] $_{2}$

James Sifuna, George S. Manyali, Elicah Wabululu +3

We report using density functional theory (DFT), the ground-state properties of the recently synthesized and characterized Sr $_{3}$ [C $_{2}$ N] $_{2}$ crystal. The nearly colorless, centros…

Low Born effective Charges, High Covalency and Strong Optical Activity in X32+​Bi3−N3− (X=Ca,Sr,Ba) inverse-perovskites

Ab initio study on Quasi-Binary Acetonitriletriide Sr3​[C2​N]2​

Low Born effective Charges, High Covalency and Strong Optical Activity in $X_{3}^{2 +}$ Bi $^{3 -}$ N $^{3 -}$ ( $X$ =Ca,Sr,Ba) $in v er se$ -perovskites

Ab initio study on Quasi-Binary Acetonitriletriide Sr $_{3}$ [C $_{2}$ N] $_{2}$