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C. Lavado, A. Rébola, R. Machado, and M. Stachiotti
Multiferroic properties of three-layer Aurivillius compound Bi4TiFeNbO12: A first-principles and experimental study
Solid State Communications (cited By 0), 320, 2020
antiferroelectricity antiferromagnetism bismuth compounds calculations energy gap ferroelectricity ground state iron compounds lanthanum compounds magnetic properties multiferroics niobium compounds positive ions solid state reactions titanium compounds antiferromagnetic coupling aurivillius compounds correlation functionals magnetic ground state multiferroic properties relative stabilities solid state reaction method spontaneous polarizations vanadium compounds
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R. Machado, A. D. Loreto, A. Frattini, M. Sepliarsky, and M. Stachiotti
Site occupancy effects of Mg impurities in BaTiO3
Journal of Alloys and Compounds (cited By 0), 809, 2019
calculations ceramic materials curie temperature defects ferroelectricity inverse problems atomistic modeling batio3 first-principles calculation intrinsic effects inverse dependence mg incorporation switching process temperature composition barium titanate
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A. D. Loreto, A. Frattini, R. Machado, and M. Stachiotti
Influence of A-site magnesium doping on structural and electrical properties of BaZr0.1Ti0.9O3 ceramics
Journal of Materials Science: Materials in Electronics (cited By 2), 29(23), 19783-19790, 2018
barium compounds ceramic materials perovskite piezoelectricity structural ceramics zirconium compounds electrical measurement lower temperatures morphotropic phase boundaries perovskite phase piezoelectric coefficient remnant polarizations solubility limits structural electrical properties magnesium
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R. Machado, V. d. Santos, D. Ochoa, E. Cerdeiras, L. Mestres, and J. García
Elastic, dielectric and electromechanical properties of (Bi0.5Na0.5)TiO3-BaTiO3piezoceramics at the morphotropic phase boundary region
Journal of Alloys and Compounds (cited By 13), 690, 568-574, 2017
barium compounds crystallography domain walls ferroelectric materials field emission microscopes piezoelectricity rietveld analysis scanning electron microscopy sodium x ray diffraction ceramics depolarization temperature dielectric response diffuse phase transitions electromechanical property field emission scanning electron microscopy morphotropic phase boundaries pyroelectric measurements piezoelectric ceramics
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A. D. Loreto, R. Machado, A. Frattini, and M. Stachiotti
Improvement in the sintering process of Ba0.85Ca0.15Zr0.1Ti0.9O3 ceramics by the replacement of Zr by Hf
Journal of Materials Science: Materials in Electronics (cited By 4), 28(1), 588-594, 2017
calcium ceramic materials hafnium piezoelectric ceramics grain size lead free piezoceramics perovskite phase sintering process sintering
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R. Machado, D. Ochoa, V. d. Santos, E. Cerdeiras, L. Mestres, and J. García
High stability of properties in morphotropic phase boundary Bi0.5Na0.5TiO3–BaTiO3 piezoceramics
Materials Letters (cited By 7), 183, 73-76, 2016
barium compounds electric fields ferroelectric materials piezoelectric ceramics piezoelectricity sodium stresses bnt-bt dielectric piezoelectric properties electromechanical property lead free piezoceramics morphotropic phase boundaries nonlinear behavior piezoelectric property piezoelectrics system stability
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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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M. Graf, M. Sepliarsky, R. Machado, and M. Stachiotti
Dielectric and piezoelectric properties of BiFeO3 from molecular dynamics simulations
Solid State Communications (cited By 16), 218, 10-13, 2015
bismuth compounds calculations molecular dynamics piezoelectricity single crystals a. bifeo3 atomistic simulations dielectric piezoelectric properties first-principles calculation molecular dynamics simulations piezoelectric coefficient piezoelectric property single-crystal properties iron compounds
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A. D. Loreto, A. Frattini, R. MacHado, O. D. Sanctis, and M. Stachiotti
Preparation and characterization of Mn-doped (Ba0.85Ca 0.15)(Zr0.1Ti0.9)O3 ceramics
Ferroelectrics (cited By 5), 463(1), 105-113, 2014
ball milling calcium ceramic materials manganese manganese oxide mechanical alloying milling (machining) zirconium bczt dielectric ferroelectric properties doped ceramics high-energy ball milling process lead-free piezoelectrics mechanical milling phase formation process remnant polarizations ferroelectric ceramics
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R. Machado, M. Sepliarsky, and M. Stachiotti
Microscopic scale investigation of piezoelectric properties of lead-free alkaline niobates
Applied Physics Letters (cited By 5), 103(24), 2013
electromechanical property electromechanical response lead-free microscopic scale phase-coexistence region piezoelectric property polymorphic phase transition room temperature lithium niobium oxide piezoelectricity
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R. Machado, M. Sepliarsky, and M. Stachiotti
First-principles calculations of structural properties of NaNbO 3
Ferroelectrics (cited By 1), 427(1), 98-104, 2012
ab initio different structure exchange-correlation functionals first-principles calculation generalized gradient approximations structural behaviors structural instability total energy calculation ferroelectricity niobium oxide phase stability sodium calculations
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R. MacHado, M. Sepliarsky, and M. Stachiotti
Off-center impurities in a robust ferroelectric material: Case of Li in KNbO 3
Physical Review B - Condensed Matter and Materials Physics (cited By 13), 86(9), 2012
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R. MacHado, M. Sepliarsky, and M. Stachiotti
Relative phase stability and lattice dynamics of NaNbO3 from first-principles calculations
Physical Review B - Condensed Matter and Materials Physics (cited By 11), 84(13), 2011
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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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R. MacHado, M. Sepliarsky, and M. Stachiotti
Phase transitions and piezoelectric properties of SrBi2Ta 2O9 by molecular dynamics simulations
Journal of Materials Science (cited By 7), 45(18), 4912-4918, 2010
crystallographic directions experimental data ferroelectric transition first principle calculations local polarization microscopic dynamics molecular dynamics simulations non-polar paraelectric phase piezoelectric coefficient piezoelectric property shell models two phase ferroelectricity molecular dynamics piezoelectricity tantalum phase transitions
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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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M. Santiago, M. Stachiotti, R. MacHado, N. Pellegri, and O. D. Sanctis
Synthesis and characterization of PMN-PT thin films prepared by a new chemical route
Ferroelectrics (cited By 5), 370(14), 85-93, 2008
2-butanone acetoin average grain size chelating agent chemical routes chemical solution deposition crack-free films dielectric ferroelectric properties ethoxides lead acetate lead magnesium niobate-lead titanates multilayer process perovskite phase piezoelectrics pmn-pt pt precursors pt thin films si substrates starting materials synthesis characterization titanium butoxide atomic force microscopy chelation deposition ferroelectricity film preparation ketones magnesium methanol niobium niobium compounds organic solvents oxide minerals perovskite phototransistors synthesis (chemical) thin films titanium multilayer films
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R. MacHado, M. Sepliarsky, and M. Stachiotti
Temperature-driven phase transitions in SrBi2Ta 2O9 from first-principles calculations
Applied Physics Letters (cited By 11), 93(24), 2008
lithium batteries solid state physics tantalum aurivillius compounds dielectric responses first-principles calculations intermediate phasis nonpolar paraelectric phase transition sequences powerful tools shell models phase transitions
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R. Machado, M. Stachiotti, R. Migoni, and A. Tera
Estructura electrónica y origen de la ferroelectricidad en el Bi4Ti3O12, por medio de cálcules de primeras principios
Revista Mexicana de Fisica (cited By 1), 51(2), 186-192, 2005
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M. Stachiotti, R. MacHado, A. Frattini, N. Pellegri, and O. D. Sanctis
Effects of the chemical modifier on the thermal evolution of SrBi 2Ta2O9 precursor powders
Journal of Sol-Gel Science and Technology (cited By 10), 36(1), 53-60, 2005
bismuth chelation crystallization powders chelating agents precursor chemistry precursor powders strontium compounds
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R. Machado, M. Stachiotti, R. Migoni, and A. H. Tera
First-principles determination of ferroelectric instabilities in Aurivillius compounds
Physical Review B - Condensed Matter and Materials Physics (cited By 46), 70(21), 1-8, 2004
ferromagnetic material article chemical structure electron mathematical analysis phase transition phonon polarization
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R. MacHado and M. Stachiotti
Electronic structure and ferroelectric behavior of lanthanum substituted bismuth titanate
Ferroelectrics (cited By 3), 333, 3-10, 2006
chemical bonds electronic structure ferroelectricity lanthanum lattice vibrations phonons aurivillius bit first-principles linearized augmented plane wave (lapw) bismuth compounds
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M. Stachiotti, R. MacHado, A. Frattini, N. Pellegri, and O. D. Sanctis
Effects of the chelating agent on the fabrication of SBT thin films: Part I. Stoichiometry and crystallization behavior
Ferroelectrics (cited By 4), 335, 23-33, 2006
bismuth compounds chelation crystallization hydrolysis stoichiometry strontium compounds tantalum compounds acetoin low temperature synthesis non hydrolyzing precursors precursor powders ferroelectric thin films
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A. Frattini, R. MacHado, M. Santiago, N. Pellegri, M. Stachiotti, R. Bolmaro, and O. D. Sanctis
Effects of the chelating agent on the fabrication of SBT thin films: Part II. Microstructural properties
Ferroelectrics (cited By 2), 335, 35-43, 2006
chelating agents csd microstructural properties sbt bismuth compounds chelation crystal orientation microstructure strontium compounds substrates tantalum compounds ferroelectric thin films
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