Publications with the keyword "ferroelectric"

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S. Koval, J. Lasave, J. Kohanoff, and R. Migoni
Shell model study of local and global energy barriers in KDP
Ferroelectrics (cited By 3), 401(1), 103-109, 2010
ab initio ab initio calculations cluster sizes different sizes energy profile ferroelectric global instability interaction parameters kdp local distortion mode patterns paraelectrics phase matrix quantitative agreement shell model shell models calculations ferroelectricity hydrogen hydrogen bonds shells (structures) ferroelectric materials
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J. Lasave, J. Kohanoff, R. Migoni, and S. Koval
A shell model for the H-bonded ferroelectric KH2PO4
Physica B: Condensed Matter (cited By 10), 404(18), 2736-2738, 2009
antiferroelectrics experimental data ferroelectric first-principles first-principles calculation h-bonded ferroelectrics interaction parameters kdp metastable structures molecular dynamics simulations paraelectrics relative stabilities shell model shell models binding sites domain walls ferroelectricity finite element method hydrogen hydrogen bonds metastable phases molecular dynamics phase transitions shells (structures) solid state physics structural properties ferroelectric materials
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J. Lasave, S. Koval, and R. Migoni
Coexistence of ferroelectric and antiferroelectric microregions in the paraelectric phase of NH4H2PO4 (ADP)
Physica B: Condensed Matter (cited By 4), 404(18), 2749-2750, 2009
ab initio adp ammonium dihydrogen phosphate antiferroelectrics electron spins ferroelectric first-principles study hydrogen-bonded ferroelectrics matrix microregions paraelectric phase paraelectric transitions paraelectrics relative stabilities ammonium compounds antiferroelectricity binding sites ferroelectric materials ferroelectricity hydrogen hydrogen bonds spin dynamics finite element method
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S. Koval, J. Kohanoff, and R. Migoni
On the relevance of tunneling for the isotope effect in KDP
Ferroelectrics (cited By 5), 268, 239-244, 2002
electric charge electron tunneling ferroelectricity hydrogen bonds isotopes oxygen polarization protons acceptors ferroelectric first-principles calculations kh 2 po 4 (kdp) potassium compounds
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