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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,099 records · Page 61
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Tailoring dielectric properties of ferroelectric-dielectric multilayers

We develop a nonlinear thermodynamic model for multilayer ferroelectric heterostructures that takes into account electrostatic and electromechanical interactions between layers. We concentrate on the effect of relative layer fractions and in-plane thermal stresses on dielectric properties of Ba{sub 0.6}Sr{sub 0.4}TiO{sub 3}-, BaTiO{sub 3}-, and PbZr{sub 0.2}Ti{sub 0.8}O{sub 3} (PZT)-SrTiO{sub 3} (STO) multilayers on Si and c-sapphire. We show that dielectric properties of such multilayers can be significantly enhanced by tailoring the growth/processing temperature and the STO layer fraction. Our computations show that large tunabilities (∼90% at 400 kV/cm) are possible in carefully designed barium strontium titanate-STO and PZT-STO even on Si for which there exist substantially large in-plane strains.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Evidence for the suppression of intermediate anti-ferroelectric ordering and observation of hardening mechanism in Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} ceramics through cobalt substitution

Co-ion (5 mol %) substitution in Na{sub 1/2}Bi{sub 1/2}TiO{sub 3} (NBT) host lattice and their effects on the structural, ferroelectric and dielectric behavior has been investigated thoroughly in this present study. The substituted Co-ion at Ti-site acts an acceptor type doping and hardens (i.e., increase in coercivity) the system without any noticeable change in the remanent polarization values. However, the intermediate antiferroelectric (AFE) ordering which exists between 200 °C–280 °C in NBT system has been suppressed due to Co-ion substitution, which is an interesting feature for device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Photovoltaic effect of lead-free (Na{sub 0.82}K{sub 0.18}){sub 0.5}Bi{sub 4.5}Ti{sub 4}O{sub 15} ferroelectric thin film using Pt and indium tin oxide top electrodes

We have grown a Bi-layer structure (Na{sub 0.82}K{sub 0.18}){sub 0.5}Bi{sub 4.5}Ti{sub 4}O{sub 15} (NKBiT) ferroelectric thin film on Pt(111)/TiO{sub 2}/SiO{sub 2}/Si(100) substrate by using the chemical solution deposition method and deposited two kinds of thin Pt and indium tin oxide (ITO) top electrodes. The photovoltaic behaviors of Pt/NKBiT/Pt and ITO/NKBit/Pt capacitors were investigated over the wavelength range of 300–500 nm. When NKBiT thin film is illuminated by the corresponding wavelength of the film's energy band gap (E{sub g}), a photocurrent is generated due to the Schottky barrier between electrode and film, and an internal electric field is originated by the depolarization field. The maximum photocurrent density and power conversion efficiency of the ITO/NKBiT/Pt capacitor in the poled-up state are obtained as 45.75 nA/cm{sup 2} and 0.035%, respectively, at 352 nm. The photocurrent density and power conversion efficiency of the ITO/NKBiT/Pt capacitor increased to 3.5 times higher than that of the Pt/NKBiT/Pt capacitor.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

High performance non-volatile ferroelectric copolymer memory based on a ZnO nanowire transistor fabricated on a transparent substrate

A high performance ferroelectric non-volatile memory device based on a top-gate ZnO nanowire (NW) transistor fabricated on a glass substrate is demonstrated. The ZnO NW channel was spin-coated with a poly (vinylidenefluoride-co-trifluoroethylene) (P(VDF-TrFE)) layer acting as a top-gate dielectric without buffer layer. Electrical conductance modulation and memory hysteresis are achieved by a gate electric field induced reversible electrical polarization switching of the P(VDF-TrFE) thin film. Furthermore, the fabricated device exhibits a memory window of ∼16.5 V, a high drain current on/off ratio of ∼10{sup 5}, a gate leakage current below ∼300 pA, and excellent retention characteristics for over 10{sup 4} s.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Communication: Ab initio simulations of hydrogen-bonded ferroelectrics: Collective tunneling and the origin of geometrical isotope effects

Ab initio simulations that account for nuclear quantum effects have been used to examine the order-disorder transition in squaric acid, a prototypical H-bonded antiferroelectric crystal. Our simulations reproduce the >100 K difference in transition temperature observed upon deuteration as well as the strong geometrical isotope effect observed on intermolecular separations within the crystal. We find that collective transfer of protons along the H-bonding chains – facilitated by quantum mechanical tunneling – is critical to the order-disorder transition and the geometrical isotope effect. This sheds light on the origin of isotope effects and the importance of tunneling in squaric acid which likely extends to other H-bonded ferroelectrics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Band gap modification and ferroelectric properties of Bi{sub 0.5}(Na,K){sub 0.5}TiO{sub 3}-based by Li substitution

We report on the reduction of band gap in Bi{sub 0.5}(Na{sub 0.82-x}Li{sub x}K{sub 0.18}){sub 0.5}(Ti{sub 0.95}Sn{sub 0.05})O{sub 3} from 2.99 eV to 2.84 eV due to the substitutions of Li{sup +} ions to Na{sup +} sites. In addition, the lithium substitution samples exhibit an increasing of the maximal polarizations from 21.8 to 25.7 μC/cm{sup 2}. The polarization enhancement of ferroelectric and reduction of the band gaps are strongly related to the Li substitution concentration as evaluated via the electronegative between A-site and oxygen and tolerance factor. The results are promising for photovoltaic and photocatalytic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Enhanced magnetism and ferroelectricity in epitaxial Pb(Zr{sub 0.52}Ti{sub 0.48})O{sub 3}/CoFe{sub 2}O{sub 4}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} multiferroic heterostructures grown using dual-laser ablation technique

PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}/CoFe{sub 2}O{sub 4}/La{sub 0.7}Sr{sub 0.3}MnO{sub 3} (PZT/CFO/LSMO) and PZT/LSMO heterostructures were grown on single-crystal MgO (100) substrates using the dual-laser ablation technique. X-ray diffraction confirmed the epitaxial relationship between the layers in the heterostructures. Magnetization measurements showed in-plane uniaxial magnetic anisotropy in PZT/CFO/LSMO with enhanced saturation magnetization of 288 emu/cm{sup 3} as compared to 244 emu/cm{sup 3} for PZT/LSMO. With the introduction of the hard magnetic CFO, the low coercivity of PZT/LSMO increased from 0.1 kOe to 1.4 kOe. Polarization measurements showed well-saturated square hysteresis loops for PZT/CFO/LSMO with enhanced remanent polarization (P{sub r}) values of 69 μC/cm{sup 2} at a coercive field (E{sub c}) of 88 kV/cm as compared to P{sub r} = 51 μC/cm{sup 2} at E{sub c} = 39 kV/cm for PZT/LSMO. The improved hard ferromagnetic and ferroelectric properties in PZT/CFO/LSMO as compared to PZT/LSMO make it desirable for multiferroic device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Photocurrent enhancement of perovskite heterojunction by plasmonic nanoparticles and ferroelectric polarization

Perovskite oxides—Pb{sub 0.86}La{sub 0.14}TiO{sub 3} (PLT), AgNbO{sub 3} (ANO), and SrTiO{sub 3} (STO)—were deposited consecutively on ITO/glass substrates to form layered composite photoelectrodes. These materials were chosen for their specific electronic band structures to form efficient photocatalytic heterojunctions and similar crystalline structures to minimize interface defects. Two additional methods were adopted to increase the photocurrent density of the composites: (1) plasmonic gold nanoparticles were introduced at the PLT/ITO interface to enhance light scattering and absorption while not becoming electron trapping centers and (2) the ferroelectric PLT layer was electrically poled toward the ANO layer to create a favorable band bending for electron transfer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Giant electrocaloric effect in asymmetric ferroelectric tunnel junctions at room temperature

Room-temperature electrocaloric properties of Pt/BaTiO{sub 3}/SrRuO{sub 3} ferroelectric tunnel junctions (FTJs) are studied by using a multiscale thermodynamic model. It is found that there is a divergence in the adiabatic temperature change ΔT for the two opposite polarization orientations. This difference under a typical writing voltage of 3 V can reach over 1 K as the barrier thickness decreases. Thanks to the ultrahigh external stimulus, a giant electrocaloric effect (1.53 K/V) with ΔT being over 4.5 K can be achieved at room temperature, which demonstrates the perspective of FTJs as a promising solid-state refrigeration.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Exchange interaction mediated ferroelectricity in multiferroic MnTiO{sub 3} with anisotropic orbital hybridization and hole delocalization

We present the orbital structure of MnTiO{sub 3} with polarization dependent x-ray absorption and resonant x-ray emission spectra accompanied with electronic structure calculations. The results clearly indicate a strongly anisotropic O 2p-Mn 3d orbital hybridization whereas the Mn 3d hole state shows a highly delocalized characteristic ascribed to the 3d-4p mixing. The extended Mn 4p orbital could enhance the exchange interaction between Mn (3d)-O (2p)-Mn (3d) leading to an asymmetric charge distribution in Mn-O bonds. The delocalized characteristic of Mn 3d holes is indispensable to the mechanism of spin-dependent-metal-ligand hybridization to explain magnetically induced ferroelectricity.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Kelvin probe force microscopy study on operating In-Sn-O-channel ferroelectric-gate thin-film transistors

Surface potentials of an operating In-Sn-O channel ferroelectric-gate transistor (FGT) were mapped by Kelvin probe force microscopy. We clearly observed a gradual transition within the channel from linear potential profile to superlinear ones when drain voltage approaches and overcomes gate voltage, which is related to the physics of electronic transport under field-effect doping. The dependence of field-effect mobility on gate-bias and lateral field, as well as the effect of source/drain electrode materials on transport properties, was also elucidated. This study provides useful information for optimizing the FGT performance and for understanding its underlying physics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Effects of oxygen vacancies on dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics

Effects of oxygen vacancies on the dielectric, electrical, and ferroelectric properties of Ba{sub 4}Nd{sub 2}Fe{sub 2}Nb{sub 8}O{sub 30} ceramics were investigated. A dielectric relaxation above T{sub c} can be ascribed to the trap-controlled ac conduction around doubly ionized oxygen vacancies. The dc conductivity of the N{sub 2}-annealed and O{sub 2}-annealed samples is attributed to the long-range motion of the V{sub o}{sup ⋅⋅}, and that of the as-sintered sample is considered to be governed by the electronic and oxygen-vacancy ionic mixed conduction mechanism. Low concentration and random distributed oxygen vacancies are propitious to the domain switching, while high concentration and allied oxygen defects hinder the domain-wall movement.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Misfit strain-temperature phase diagrams and domain stability of asymmetric ferroelectric capacitors: Thermodynamic calculation and phase-field simulation

Thermodynamic calculation and phase-field simulation have been conducted to investigate the misfit strain-temperature phase diagrams, dielectric property, and domain stability of asymmetric ferroelectric capacitors (FCs), with considering the effects of dissimilar screening properties and work function steps at the two interfaces. The distinct features of asymmetric FCs from their symmetric counterparts have been revealed and discussed. Polar states with nonzero out-of-plane polarization in parallel with the built-in field are found preferential to form in asymmetric FCs. Meanwhile, the built-in field breaks the degeneracy of states with out-of-plane polarization in anti-directions. This leads to the necessity of redefining phases according to the bistability of out-of-plane polarization. Moreover, the phase stability as well as the dielectric behavior can be significantly controlled by the properties of electrodes, misfit strain, and temperature. The phase-field simulation result also shows that polydomain instability would happen in asymmetric FCs as the equivalence of domain stability in anti-directions is destroyed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ferroelectric modulation on resonant tunneling through perovskite double-barriers

The negative differential resistance (NDR) due to resonance tunneling is achieved at room temperature in perovskite double-barrier heterostructures composed of a 10 unit-cell-thick SrTiO{sub 3} quantum well sandwiched in two 10 unit-cell-thick LaAlO{sub 3} barriers. The NDR occurs at 1.2 V and does not change with voltage cycling. When the paraelectric SrTiO{sub 3} quantum well is replaced by a ferroelectric BaTiO{sub 3}, the onset of the NDR can be modulated by polarization switching in the ultrathin BaTiO{sub 3}. A polarization pointing to the collector lowers the NDR voltage but a polarization pointing to the emitter increases it. The shift of the NDR voltage is ascribed to reversal of the extra electric field in the quantum well due to the polarization switching.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Polarization switching characteristics of 0.5BaTi{sub 0.8}Zr{sub 0.2}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} lead free ferroelectric thin films by pulsed laser deposition

We report on the ferroelectricity for morphotropic-phase-boundary lead (Pb) free 0.5BaTi{sub 0.8}Zr{sub 0.2}O{sub 3}-0.5Ba{sub 0.7}Ca{sub 0.3}TiO{sub 3} (0.5BZT-0.5BCT) thin films. Thin films were grown on Pt/Ti/SiO{sub 2}/Si substrate using pulsed laser deposition. Raman spectroscopic data combined with the X-ray diffraction analyses confirm body centered tetragonal crystallographic structure 0.5BZT-0.5 BCT thin films on Pt/Ti/SiO{sub 2}/Si. Polarization studies demonstrate that these 0.5BZT-0.5BCT films exhibit a large remnant and saturation polarization of 37 μC/cm{sup 2} and 40 μC/cm{sup 2}, respectively, with a coercive field of 140 kV/cm. A correlation between polarization dynamics, structural distortion, and phonon vibration is established. The splitting of X-ray diffraction peak of the thin film in the 2θ range of 44.5° to 46.5° represents high degree of tetragonality. The tetragonality factor calculated by Rietveld analysis was found to be 0.006 and can be a major cause for the increased remnant polarization value. It is established from Raman spectra that the non-centrosymmetricity due to the displacement of Ti/Zr ions from its octahedral position is related to the peak position as well as the broadening of the A{sub 1} (LO) optical phonon mode. This increase of broadness in the thin film causes an increase in the dipole moment of the unit cell and, hence, the net increase in polarization values.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Synthesis and characterization of ferroelectric bismuth titanate (Bi{sub 4}Ti{sub 3}O{sub 12})

The Lead free, Bi{sub 4}Ti{sub 3}O{sub 12} has been synthesized by sol-gel method. The synthesized samples have been subjected to the structural, morphological, P-E hysteresis loop measurements. The X-Ray diffraction (XRD) studies have confirmed the pure phase Bismuth Titanate Bi{sub 4}Ti{sub 3}O{sub 12} with orthorhombic symmetry. The Scanning electron microscope (SEM) studies have shown the good surface morphology. The hysteresis measurement of BIT is also done to confirm the ferroelectric property of the material. The values of remnant polarization (P{sub r}) and coercive field (E{sub c}) is found to be dependent on applied electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Ferroelectric studies of excessive Sm{sup 3+} containing perovskite PZT and pyrochlore biphase ceramics

Polycrystalline samples of Sm{sup 3+} modified Pb{sub 1−x} Sm{sub 2x/3} (Zr{sub 0.6}Ti{sub 0.4}) O{sub 3} (PSZT) ceramics (where x = 0.1, 0.2, 0.3, 0.4) have been prepared by a high energy ball milling technique, followed by calcination at 950°C and sintering at 1150°C. As x is increased more than 0.1 mole%, considerable secondary phase has been formed. This phase has been identified as pyrochlore Sm{sub 2}Ti{sub 2}O{sub 7} from its X-ray diffraction (XRD) peaks. The XRD studies also indicate that the perovskte phases of the present systems undergo a dopant induced phase transformation from rhombohedral to tetragonal strucure. All the samples exhibit diffuse but non-relaxor type ferroelectric phase transition. The results of dielectric and hysteresis studies of these materials are presented.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Investigation on crystalline perfection, mechanical, piezoelectric and ferroelectric properties of L-tartaric acid single crystal

Polar organic nonlinear optical material, L-tartaric acid single crystals have been grown from slow evaporation solution growth technique. Single crystal X-ray diffraction study indicates that the grown crystal crystallized in monoclinic system with space group P2{sub 1}. Crystalline perfection of the crystal has been evaluated by high resolution X-ray diffraction technique and it reveals that the crystal quality is good and free from structural grain boundaries. Mechanical stability of the crystal has been analyzed by Vickers microhardness measurement and it exhibits reverse indentation size effect. Piezoelectric d{sub 33} co-efficient for the crystal has been examined and its value is 47 pC/N. The ferroelectric behaviour of the crystal was analyzed by polarization-electric field hysteresis loop measurement.

36 MATERIALS SCIENCE↗