786 citations · 873 across the 2 of their papers we have counts for
2 papers
mtrl-th1995★ 87 cited
Chemical Hardness, Linear Response, and Pseudopotential Transferability
A. Filippetti, David Vanderbilt, W. Zhong +2
We propose a systematic method of analyzing pseudopotential transferability based on linear-response properties of the free atom, including self-consistent chemical hardness and po…
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…