81 citations · 458 across the 24 of their papers we have counts for
4 papers · 1 filter
Soft phonon modes in rutile TiO
Björn Wehinger, Alexeï Bosak, Paweł T. Jochym
The lattice dynamics of TiO in the rutile crystal structure was studied by a combination of thermal diffuse scattering, inelastic x-ray scattering and density functional pertur…
Dynamics and stability of icosahedral Fe-Pt nanoparticles
Paweł T. Jochym, Jan Łażewski, Małgorzata Sternik +1
The structure, dynamics and stability of Fe-Pt nanoparticles have been investigated using DFT-based techniques: total energy calculations and DFT molecular dynamics. The investigat…
Effect of edge dislocations on structural and electric properties of 4H-SiC
Jan Łażewski, Paweł T. Jochym, Przemysław Piekarz +5
The paper presents a study of two full-core, edge dislocations of opposite Burgers vectors in 4H-SiC, conducted using the first-principles density functional theory methods. We hav…
Influence of isolated and clustered defects on electronic and dielectric properties of wustite
Urszula D. Wdowik, Przemyslaw Piekarz, Pawel T. Jochym +2
The influence of intrinsic Fe defects in FeO (either single cation vacancies or prototypical 4:1 vacancy clusters) on the electronic and dielectric properties is studied within the…