466 citations · 947 across the 4 of their papers we have counts for
4 papers
Unveiling the electronic structure of pseudo-tetragonal WO thin films
F. Mazzola, H. Hassani, D. Amoroso +11
WO is a binary 5d compound which has attracted remarkable attention due to the vast array of structural transitions that it undergoes in its bulk form. In the bulk, a wide rang…
Unusual behaviour of the ferroelectric polarization in PbTiO/SrTiO superlattices
M. Dawber, C. Lichtensteiger, M. Cantoni +5
Artificial PbTiO/SrTiO superlattices were constructed using off-axis RF magnetron sputtering. X-ray diffraction and piezoelectric atomic force microscopy were used to s…
A Microscopic Model of Ferroelectricity in Stress-free PbTiO3 Ultrathin Films
Ph. Ghosez, K. M. Rabe
The ground-state polarization of PbTiO3 thin films is studied using a microscopic effective Hamiltonian with parameters obtained from first-principles calculations. Under short-cir…
Lattice dynamics of BaTiO3, PbTiO3 and PbZrO3: a comparative first-principles study
Ph. Ghosez, E. Cockayne, U. V. Waghmare +1
The full phonon dispersion relations of lead titanate and lead zirconate in the cubic perovskite structure are computed using first-principles variational density-functional pertur…