22 citations
2 papers
cond-mat.mtrl-sci2020★ 22 cited
First-principles study of two-dimensional electron and hole gases at the head-to-head and tail-to-tail 180 domain walls in PbTiO ferroelectric thin films
James Sifuna, Pablo García-Fernández, George S. Manyali +2
We study from first-principles the structural and electronic properties of head-to-head (HH) and tail-to-tail (TT) 180 domain walls in isolated free-standing PbTiO sl…
cond-mat.mtrl-sci2020
Comparison of band-fitting and Wannier-based model construction for WSe
James Sifuna, Pablo García-Fernández, George S. Manyali +2
Transition metal dichalcogenide materials are being thoroughly studied due to their novel two-dimensional structure, that is associated with exceptional opti…