Vitaly Alexandrov

most citedFirst-principles computational study of defect clustering in solid solutions of ThO

_{2}

with trivalent oxides

23 citations · 23 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2010★ 23 cited

First-principles computational study of defect clustering in solid solutions of ThO $_{2}$ 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 $_{2}$ with oxides of trivalent cations (Sc, In, Y, Nd, La) are investigated by electronic…

cond-mat.mtrl-sci2010

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…

First-principles computational study of defect clustering in solid solutions of ThO2​ with trivalent oxides

First-principles modeling of oxygen interaction with SrTiO3(001) surface: Comparative density-functional LCAO and plane-wave study

First-principles computational study of defect clustering in solid solutions of ThO $_{2}$ with trivalent oxides