35 citations · 55 across the 11 of their papers we have counts for
4 papers · 1 filter
Electron Polaron at Neutral 180 Domain Wall in PbTiO: Stability, Trapping Energies, and Transverse Polarization
Mohammad Amirabbasi, Jochen Rohrer, Karsten Albe
We use density-functional theory with a Hubbard correction to investigate Ti-centered electron polarons at neutral PbO-centered domain walls in tetragonal PbTiO.…
Why hole polaron formation on oxygen is limiting the Fermi level in Fe acceptor doped BaTiO under oxidizing conditions
Mohammad Amirabbasi, Emre Erdem, Denis Sudarikov +3
Oxidizing Fe-doped BaTiO is commonly expected to convert substitutional Fe acceptors into formal Fe centers. Yet, the experimentally accessible picture based on e…
First-principles investigation of small polarons in rhombohedral NaNbO
Mohammad Amirabbasi, Lorenzo Villa, Elaheh Ghorbani +2
Sodium niobate (NaNbO) is a perovskite oxide and a key component of emerging lead-free antiferroelectric capacitors for high-energy-density applications. However, its perform…
How semiconducting are ferroelectrics: The fundamental, optical and transport gaps of NaBiTiO-BaTiO and NaNbO
Pengcheng Hu, Nicole Bein, Chinmay Chandan Parhi +7
The energy gap is a fundamental property of materials, directly related to their optical and electronic properties. The energy gap of ferroelectric compounds and its adjustment by…