132 citations · 132 across the 1 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2002★ 132 cited
Theory of structural response to macroscopic electric fields in ferroelectric systems
Na Sai, Karin M. Rabe, David Vanderbilt
We have developed and implemented a formalism for computing the structural response of a periodic insulating system to a homogeneous static electric field within density-functional…
cond-mat.mtrl-sci2000
First-principles study of ferroelectric and antiferrodistortive instabilities in tetragonal SrTiO3
Na Sai, David Vanderbilt
We carry out first-principles density-functional calculations of the antiferrodistortive (AFD) and ferroelectric (FE) soft-mode instabilities in tetragonal SrTiO3, with the structu…
cond-mat.mtrl-sci2000
Compositional Inversion Symmetry Breaking in Ferroelectric Perovskites
Na Sai, B. Meyer, David Vanderbilt
Ternary cubic perovskite compounds of the form A_(1/3)A'_(1/3)A''_(1/3)BO_3 and AB_(1/3)B'_(1/3)B''_(1/3)O_3, in which the differentiated cations form an alternating series of mono…