Momoji Kubo

most citedMolecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO

_{3}

with a Semi-Empirical Effective Hamiltonian

19 citations · 19 across the 1 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2016★ 19 cited

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO $_{3}$ with a Semi-Empirical Effective Hamiltonian

Takeshi Nishimatsu, Anna Gruenebohm, Umesh V. Waghmare +1

We present a semi-empirical effective Hamiltonian to capture effects of disorder associated with Ba and Sr cations occupying $A$ sites in (Ba $_{x}$ Sr $_{1 - x}$ )TiO $_{3}$ on its ferroel…

cond-mat.mtrl-sci1999

Density-functional-theory calculations of molecular nitrogen on ruthenium cluster

Keshav N. Shrivastava, S. S. C. Ammal, H. Tsuruya +6

Density-functional-theory calculations for the adsorption of molecular nitrogen on ruthenium surface are reported. It is found that nitrogen molecule is adsorbed while standing per…

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO3​ with a Semi-Empirical Effective Hamiltonian

Density-functional-theory calculations of molecular nitrogen on ruthenium cluster

Molecular Dynamics Simulations of Chemically Disordered Ferroelectric (Ba,Sr)TiO $_{3}$ with a Semi-Empirical Effective Hamiltonian