3.1k citations · 27.4k across the 151 of their papers we have counts for
Showing 1995Show all
3 papers · 1 filter
mtrl-th1995★ 190 cited
First-principles investigation of 180-degree domain walls in BaTiO_3
J. Padilla, W. Zhong, David Vanderbilt
We present a first-principles study of 180-degree ferroelectric domain walls in tetragonal barium titanate. The theory is based on an effective Hamiltonian that has previously been…
cond-mat1995★ 212 cited
Stability of periodic domain structures in a two-dimensional dipolar model
Kwok-On Ng, David Vanderbilt
We investigate the energetic ground states of a model two-phase system with 1/r^3 dipolar interactions in two dimensions. The model exhibits spontaneous formation of two kinds of p…
mtrl-th1995★ 786 cited
First-principles theory of ferroelectric phase transitions for perovskites: The case of BaTiO3
W. Zhong, David Vanderbilt, K. M. Rabe
We carry out a completely first-principles study of the ferroelectric phase transitions in BaTiO. Our approach takes advantage of two features of these transitions: the structu…