378 citations · 464 across the 2 of their papers we have counts for
2 papers
cond-mat.mtrl-sci2008★ 86 cited
Frustration of tilts and A-site driven ferroelectricity in KNbO_3-LiNbO_3 alloys
D. I. Bilc, D. J. Singh
Density functional calculations for K_{0.5}Li_{0.5}NbO_3 show strong A-site driven ferroelectricity, even though the average tolerance factor is significantly smaller than unity an…
cond-mat.mtrl-sci2008★ 378 cited
Hybrid exchange-correlation functional for accurate prediction of the electronic and structural properties of ferroelectric oxides
D. I. Bilc, R. Orlando, R. Shaltaf +3
Using a linear combination of atomic orbitals approach, we report a systematic comparison of various Density Functional Theory (DFT) and hybrid exchange-correlation functionals for…