Publications with the keyword "ferroelectric materials"

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R. Machado, A. D. Loreto, A. Frattini, M. Sepliarsky, O. D. Sanctis, and M. Stachiotti
Phase transition, dielectric and piezoelectric properties of LixK1-xNbO3
Journal of Alloys and Compounds (cited By 7), 621, 256-262, 2015
perovskite atomistic simulations dielectric piezoelectric properties ferroelectric materials
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G. Colizzi, J. Kohanoff, J. Lasave, and R. Migoni
Phonons, instabilities and origin of polarization in KDP crystals
Ferroelectrics (cited By 6), 401(1), 200-206, 2010
calculations ferroelectric materials phonons polarization atoms displacement born effective charge electronic natures ferroelectric phase ferroelectric transition off-diagonal components paraelectric phase spontaneous polarizations ferroelectricity
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M. Santiago, R. Machado, M. Stachiotti, and O. D. Sanctis
Influence of tungsten doping on the ferroelectric behavior of Sr 0.8Bi2.3Ta2O9 thin films
Ferroelectrics (cited By 0), 406(1), 168-175, 2010
bismuth compounds ferroelectric films ferroelectric materials ferroelectricity semiconductor doping strontium compounds tantalum compounds tungsten annealing temperatures chemical solution deposition techniques dielectric ferroelectric properties dopant concentrations ferroelectric behavior ferroelectric property secondary phase substitution effect thin films
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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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M. Sepliarsky and S. Tinte
Dynamical behavior of the phase transition of strained BaTiO3 from atomistic simulations
Physica B: Condensed Matter (cited By 7), 404(18), 2730-2732, 2009
ac phase atomistic simulations biaxial compressive strain dominant mechanism dynamical behaviors ferroelectric phase transition ferroelectric property ferroelectrics first-order in-plane lattice parameters local polarization mechanical boundaries misfit strain molecular dynamics simulations order-disorder paraelectrics second orders shell models temperature dependence ferroelectric materials ferroelectricity molecular dynamics perovskite phase transitions
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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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R. MacHado, M. Santiago, M. Stachiotti, A. Frattini, N. Pellegri, R. Bolmaro, and O. D. Sanctis
Effects of acetoin as chelating agent on the preparation of SrBi 2Ta2O9 thin films from non-hydrolyzing precursors
Journal of Sol-Gel Science and Technology (cited By 4), 48(3), 294-302, 2008
agents alkaline earth metals bismuth chelation crystal microstructure crystal orientation crystallization ferroelectric films ferroelectric materials ferroelectric thin films ferroelectricity grain size shape ketones methanol microstructure nanocrystalline alloys nitrates organic compounds organic solvents powders segregation (metallography) strontium tantalum thick films thin films transition metals acetoin alkanolamines bismuth nitrates chelating agents chemical solution deposition techniques crystallinity crystallization processes dielectric ferroelectric properties ferroelectrics grain size distributions low temperatures microstructure evolutions organics phase formations precursor chemistries precursor chemistry precursor materials sbt secondary phases strontium bismuth tantalates surface micro structures tantalum ethoxide thermal evolutions film preparation
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J. Lasave, S. Koval, N. Dalal, and R. Migoni
First-principles determination of Slater and Takagi defect properties in KDP
Ferroelectrics (cited By 0), 333, 47-56, 2006
crystal defects crystals electron energy levels electronic structure estimation lattice constants phase transitions shrinkage defect energy first-principles calculations formation energy kdp takagi defect ferroelectric materials
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M. Sepliarsky, M. Stachiotti, and R. Migoni
Surface and substrate effects on the ferroelectric properties of PbTiO 3 ultrathin films
Ferroelectrics (cited By 8), 335, 3-12, 2006
computer simulation elastic moduli ferroelectric materials interfaces (materials) lead compounds scattering substrates x ray analysis antiferrodistortive surface reconstruction atomic level mode film substrates surface reconstruction x-ray scattering ultrathin films
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S. Phillpot, M. Sepliarsky, M. Stachiotti, V. Gopalan, S. Streiffer, and R. Migoni
Complex dynamical behavior in oxide ferroelectrics by molecular-dynamics simulation
Proceedings - Electrochemical Society (cited By 0), 200331, 206-214, 2006
dynamical behavior molecular-dynamics simulation oxide ferroelectrics trigonal structure computer simulation electrochemistry lithium niobate molecular dynamics perovskite ferroelectric materials
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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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M. Sepliarsky, A. Asthagiri, S. Phillpot, M. Stachiotti, and R. Migoni
Atomic-level simulation of ferroelectricity in oxide materials
Current Opinion in Solid State and Materials Science (cited By 94), 9(3), 107-113, 2005
computer simulation ferroelectric materials materials science oxide minerals physical properties atomistic simulation ferroelectric properties materials fidelity oxide materials ferroelectricity
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M. Sepliarsky, Z. Wu, A. Asthagiri, and R. Cohen
Atomistic model potential for PbTiO3 and PMN by fitting first principles results
Ferroelectrics (cited By 32), 301, 55-59, 2004
ferroelectric materials mathematical models molecular dynamics piezoelectric materials polarization quenching first principles pbmg1/3nb2/3o3 pbtio3 pmn relaxors shell models lead compounds
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G. Colizzi, J. Kohanoff, J. Lasave, S. Koval, and R. Migoni
Ab-initio investigations of pressure effects on the ferroelectric instabilities in KDP and DKDP
Ferroelectrics (cited By 4), 301, 61-64, 2004
mathematical models phase transitions polarization pressure effects double-well model isotope effect kdp transition temperature ferroelectric materials
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S. Tinte, M. Stachiotti, S. Phillpot, M. Sepliarsky, D. Wolf, and R. Migoni
Ferroelectric properties of BaxSr1-xTiO3 solid solutions obtained by molecular dynamics simulation
Journal of Physics Condensed Matter (cited By 61), 16(20), 3495-3506, 2004
composition computer simulation dielectric materials ferroelectric materials mathematical models molecular dynamics perovskite phase diagrams antiferrodistortive phase diffuse phase transition (dpt) quantum paraelectric states barium compounds
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S. Koval, J. Kohanoff, R. Migoni, and A. Bussmann-Holder
Interplay between proton ordering and ferroelectric polarization in H-bonded KDP-type crystals
Computational Materials Science (cited By 16), 22(12), 87-93, 2001
electric charge electron tunneling electronic structure hydrogen bonds low temperature operations molecular crystals polarization protons ferroelectric polarization proton ordering ferroelectric materials
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M. Sepliarsky, R. Migoni, and M. Stachiotti
Ab initio supported model simulations of ferroelectric perovskites
Computational Materials Science (cited By 9), 10(14), 51-56, 1998
barium titanate computer simulation phase transitions quantum theory ab initio methods perovskites ferroelectric materials
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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. Sepliarsky, R. Migoni, and M. Stachiotti
Molecular dynamics simulation of KNbO3 : Relaxational dynamics and precursor domains
Ferroelectrics (cited By 2), 183(14), 105-114, 1996
molecular dynamics phase transitions relaxation processes simulation ab-initio calculations potassium niobate ferroelectric materials
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M. Stachiotti, A. Dobry, R. Migoni, and A. Bussmann-Holder
Particle dynamics in the vicinity of a ferroelectric phase transition
Ferroelectrics (cited By 0), 153(1), 195-200, 1994
anisotropy high temperature effects lattice vibrations molecular vibrations perovskite phase transitions polarization relaxation processes ferroelectric phase transition local particle dynamics nonlinear polarizability model particle dynamics ferroelectric materials
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