118 citations · 430 across the 14 of their papers we have counts for
Showing 2009Show all
2 papers · 1 filter
cond-mat.mtrl-sci2009★ 5 cited
Free energies of ferroelectric crystals from a microscopic approach
Gregory Geneste
The free energy of barium titanate is computed around the Curie temperature as a function of polarization from the first-principles derived effective hamiltonian of Zhong, Vanderbi…
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}…