Publications with the keyword "potassium compounds"

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S. Phillpot, M. Sepliarsky, M. Stachiotti, R. Migoni, and S. Streiffer
Order-disorder behavior in KNbO3 and KNbO3/KTaO 3 solid solutions and superlattices by molecular-dynamics simulation
Journal of Materials Science (cited By 11), 40(12), 3213-3217, 2005
computer simulation crystallography ferroelectric materials molecular dynamics perovskite potassium compounds superlattices molecular-dynamics simulation order-disorder behavior orthorhombic phase orthorhombic states solid solutions
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S. Koval, J. Kohanoff, R. Migoni, and E. Tosatti
Ferroelectricity and Isotope Effects in Hydrogen-Bonded KDP Crystals
Physical Review Letters (cited By 97), 89(18), 2002
composition effects crystals electron tunneling ferroelectricity hydrogen bonds isotopes mathematical models probability density function protons quantum theory deuteration isotope effects lattice expansion nuclear quantum effects potassium dihydrogen phosphate proton probability density potassium compounds
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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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M. Sepliarsky, M. Stachiotti, R. Migoni, and C. Rodriguez
Dynamic mechanisms of the structural phase transitions in KNbO3: molecular dynamics simulations
Ferroelectrics (cited By 14), 234(1), 9-27, 1999
computer simulation ferroelectricity mathematical models molecular dynamics particles (particulate matter) phase diagrams phase transitions pressure effects temperature atomistic modeling dominant driving mechanism first principles total energy calculation paraelectric phase potassium niobate shell model structural phase transition potassium compounds
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M. Sepliarsky, M. Stachiotti, and R. Migoni
Model potential for the ferroelectric ABO3 perovskites
Ferroelectrics (cited By 0), 186(14), 69-72, 1996
mathematical models perovskite phase transitions potassium compounds atomic distortions nonlinear shell model ferroelectric materials
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M. Stachiotti, R. Migoni, H.-M. Christen, J. Kohanoff, and U. Hochli
Effective Li-Li interactions in K1-xLixTaO 3
Journal of Physics: Condensed Matter (cited By 6), 6(23), 4297-4306, 1994
bond direction dipole orientation disordered frustrated ground state ferroelastic ordering ferroelectric ordering interaction energy nonlinear polarizable shell model potassium lithium tantalum oxides spin glass like models two body interactions composition effects crystal impurities crystal lattices crystal orientation doping (additives) ferroelectricity lithium mathematical models order disorder transitions perovskite potassium compounds electron energy levels
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