86 citations · 230 across the 5 of their papers we have counts for
4 papers · 1 filter
Effects of Strain and Film Thickness on the Stability of the Rhombohedral Phase of HfO2
Yuke Zhang, Qiong Yang, Lingling Tao +2
The discovery of ferroelectric polarization in HfO2-based ultrathin films has spawned a lot of interest due to their potential applications in data storage. Recently, a new R3m rho…
The effect of intrinsic point defects on ferroelectric polarization behavior of SrTiO
Konstantin Klyukin, Vitaly Alexandrov
The effect of a variety of intrinsic defects and defect clusters in bulk and thin films of SrTiO on ferroelectric polarization and switching mechanism is investigated by means…
First-principles computational study of defect clustering in solid solutions of ThO with trivalent oxides
Vitaly Alexandrov, Niels Gronbech-Jensen, Alexandra Navrotsky +1
The energetics of mixing and defect ordering in solid solutions of fluorite-structured ThO with oxides of trivalent cations (Sc, In, Y, Nd, La) are investigated by electronic…
First-principles modeling of oxygen interaction with SrTiO3(001) surface: Comparative density-functional LCAO and plane-wave study
Vitaly Alexandrov, Sergei Piskunov, Yuri F. Zhukovskii +2
Large scale first-principles calculations based on density functional theory (DFT) employing two different methods (atomic orbitals and plane wave basis sets) were used to study th…