S. Halilov

activity

20042021

most citedStability and electronic structure of the complex K

_{2}

PtCl

_{6}

structure-type hydrides

41 citations · 66 across the 3 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2021★ 21 cited

Microscopic picture of paraelectric perovskites from structural prototypes

Michele Kotiuga, Samed Halilov, Boris Kozinsky +3

We show with first-principles molecular dynamics the persistence of intrinsic $⟨ 111 ⟩$ Ti off-centerings for BaTiO $_{3}$ in its cubic paraelectric phase. Intriguingly, the…

cond-mat.mtrl-sci2010★ 4 cited

Ferroelectricity in strained Ca $_{0.5}$ Sr $_{0.5}$ TiO $_{3}$ from first principles

Christopher R. Ashman, C. Stephen Hellberg, Samed Halilov

We present a density functional theory investigation of strained Ca $_{0.5}$ Sr $_{0.5}$ TiO $_{3}$ . We have determined the structure and polarization for a number of arrangements of Ca a…

cond-mat.mtrl-sci2004★ 41 cited

Stability and electronic structure of the complex K $_{2}$ PtCl $_{6}$ structure-type hydrides

S. V. Halilov, D. J. Singh, M. Gupta +1

The stability and bonding of the ternary complex K $_{2}$ PtCl $_{6}$ structure hydrides is discussed using first principles density functional calculations. The cohesion is dominated by…

Microscopic picture of paraelectric perovskites from structural prototypes

Ferroelectricity in strained Ca0.5​Sr0.5​TiO3​ from first principles

Stability and electronic structure of the complex K2​PtCl6​ structure-type hydrides

Ferroelectricity in strained Ca $_{0.5}$ Sr $_{0.5}$ TiO $_{3}$ from first principles

Stability and electronic structure of the complex K $_{2}$ PtCl $_{6}$ structure-type hydrides