280 citations · 572 across the 9 of their papers we have counts for
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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…
mtrl-th1995★ 280 cited
Effect of quantum fluctuations on structural phase transitions in SrTiO_3 and BaTiO_3
W. Zhong, David Vanderbilt
Using path-integral Monte Carol simulations and an ab initio effective Hamiltonian, we study the effects of quantum fluctuations on structural phase transitions in the cubic perovs…