22 citations · 22 across the 2 of their papers we have counts for
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cond-mat.mtrl-sci2009
Molecular Dynamics Study of Ferroelectric Perovskites based on Effective Hamiltonians: implementation of Nose-Hoover and Parinello-Rahman algorithms
Gregory Geneste
Molecular Dynamics is applied to Ferroelectric Perovskites in the framework of a first-principles derived effective Hamiltonian (Zhong, Vanderbilt, Rabe, Phys. Rev. Lett. {\bf 73}…
cond-mat.mtrl-sci2008★ 22 cited
Landau free energy of ferroelectric crystals by thermodynamic integration
Gregory Geneste
Using Molecular Dynamics simulations based on the effective hamiltonian developed by Zhong, Vanderbilt and Rabe [Phys. Rev. Lett. {\bf 73}, 1861 (1994)] (and fitted on first-princi…
cond-mat.mtrl-sci2005
Finite-size effects in BaTiO3 nanowires
Gregory Geneste, Eric Bousquet, Javier Junquera +1
The size dependence of the ferroelectric properties of BaTiO nanowires is studied from first-principles. We show that the ferroelectric distortion along the wire axis disappear…