72 citations · 131 across the 3 of their papers we have counts for
4 papers
Computational study of (111) epitaxially strained ferroelectric perovskites BaTiO3 and PbTiO3
Riku Oja, Karen Johnston, Johannes Frantti +1
The phase transition behaviour of PbTiO3 and BaTiO3 under (111) epitaxial strain is investigated using density-functional theory calculations. From tensile strains of +0.015 to com…
Influence of van der Waals forces on the adsorption structure of benzene on silicon
Karen Johnston, Jesper Kleis, Bengt I. Lundqvist +1
Two different adsorption configurations of benzene on the Si(001)-(2x1) surface, the tight-bridge and butterfly structures, were studied using density functional theory. Several ex…
Polymer adhesion: first-principles calculations of the adsorption of organic molecules onto Si surfaces
Karen Johnston, Risto M. Nieminen
The structures and energetics of organic molecules adsorbed onto clean and H-passivated Si(001)-(21) surfaces have been calculated using density functional theory. For benz…
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…