BaZrO3 perovskite nanoparticles as emissive material for organic/inorganic hybrid light-emitting diodes

DEFF Research Database (Denmark)

Tamulevičius, S.; Ivaniuk, K.; Cherpak, V.

2017-01-01

In the present work we have demonstrated double-channel emission from organic exciplexes coupled to inorganic nanoparticles. The process is demonstrated by yellow-green emission in light-emitting diodes based on organic exciplexes hybridized with perovskite-type dispersed BaZrO3 nanoparticles...

Ba2+ Doped CH3NH3PbI3 to Tune the Energy State and Improve the Performance of Perovskite Solar Cells

International Nuclear Information System (INIS)

Zhang, Hanbing; Shang, Ming-hui; Zheng, Xiaoying; Zeng, Zhaobing; Chen, Renjie; Zhang, Ying; Zhang, Jing; Zhu, Yuejin

2017-01-01

Highlights: •Ba doping enlarges the energy band gap of MAPb 1-x Ba x I 3 . •Voc and Jsc are enhanced in perovskite solar cells. •DFT calculation proves the experiment results. -- Abstract: Elements substitution and doping in perovskite CH 3 NH 3 PbI 3 exhibit versatile tunability of energy band structure and opto-electric properties. Ba 2+ is chosen to substitute Pb 2+ for its similar valence state and ionic radius with Pb 2+ . Ba 2+ doping in perovskite (mol% <5) slightly enlarges the optic energy gap by conduction band minimum(CBM) upshifting to vacuum energy level, which is due to the smaller electronegativity of Ba than Pb. The enlarged band gap is also verified by density function theory calculations. In n-i-p structure perovskite solar cells (PSCs), because of the higher CBM of doped perovskite, the Fermi energy difference between n and p side is enlarged and the electron injection from the perovskite to TiO 2 is improved. Thus, both the photovoltage and photocurrent are improved by small amount Ba 2+ doping, resulting optimized 17.4% efficiency under AM1.5. This work reveals the relationship between the doping element property and the energy band structure of the perovskite, and highlights the doping method to improve the performance of PSCs.

Structural phase transition in La2/3Ba1/3MnO3 perovskite: Elastic, magnetic, and lattice anomalies and microscopic mechanism

Directory of Open Access Journals (Sweden)

E. Fertman

2015-07-01

Full Text Available The temperature dependences of the elastic and magnetic properties of polycrystalline perovskite manganite La2/3Ba1/3MnO3 were studied using ultrasonic and SQUID magnetometer techniques. The minimum of the temperature-dependent sound velocity v(T and corresponding maximum of the decrement δ(T were found in the vicinity of the structural phase transition R 3 ̄ c ↔ I m m a at Ts ∼ 200 K. Large alterations of v and δ indicate a structural phase transition of the soft mode type. A high sensitivity of dc magnetization to a low uniaxial pressure caused by the softening was found in the Ts region. A negative value of the linear thermal expansion coefficient along one of the crystallographic axis was found in the Imma phase near Ts. The proposed microscopic mechanism explains the appearance of the soft mode in the vicinity of the structural phase transition temperature associated with the displacement of the manganese atom from the center of the oxygen octahedron.

Oxygen perovskites of type Ba/sub 3/Bsup(III)RuIrO/sub 9/

Energy Technology Data Exchange (ETDEWEB)

Duerrschmidt, E; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-11-01

The black perovskites Ba/sub 3/Bsup(III)RuIrO/sub 9/ with Bsup(III) = La, Nd, Sm, Gd, Dy, Er, Yb, In, Sc are isotypic. They crystallize in a hexagonal BaTiO/sub 3/ structure (sequence (hcc)/sub 2/). The mean oxydation state of the noble metal ions is +4.5.

Large intragrain magnetoresistance above room temperature in the double perovskite Ba2FeMoO6

International Nuclear Information System (INIS)

Maignan, A.; Raveau, B.; Martin, C.; Hervieu, M.

1999-01-01

Large intragrain magnetoresistance (MR) in the ordered double perovskite, Ba 2 FeMo 6 , is shown for the first time. The latter appears near T c (340 K), i.e., above room temperature. This effect originates from a double-exchange-like mechanism, based on antiferromagnetic coupling of localized high spin 3d 5 Fe 3+ , and itinerant 4d 1 Mo 5+ species. Besides this bulk MR, low field tunneling MR at lower temperatures (T 2 FeMoO 6 . Such a coexistence of both effects, intragrain and intergrain magnetoresistance, might extend to all members of this double perovskite family, suggesting the possibility of optimizing the MR for working at room temperature in a low magnetic field, by tuning the T c of solid solutions of such perovskites

Polymorphism of tungsten perovskite compounds Ba/sub 2/SEsub(0. 67)WO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (F.R. Germany). Inst. fuer Anorganische Chemie

1976-09-01

The compounds Ba/sub 2/SEsub(0.67)WO/sub 6/ with SE = Gd-Lu are polymorphic. Above 1200/sup 0/C the instable cubic modification (ordered perovskite with 4 formula units Ba/sub 2/SEsub(0.67)vacantsub(0.33)WO/sub 6/ per cell) transforms irreversibly into a hexagonal modification with completely filled cationic lattice. For Ba/sub 2/Eusub(0.67)WO/sub 6/ the transformation is incomplete. With SE = Nd and Sm only the cubic modification is formed.

Coherent intergrowth of simple cubic and quintuple tetragonal perovskites in the system Nd_2_−_εBa_3_+_ε(Fe_,Co)_5O_1_5_−_δ

International Nuclear Information System (INIS)

Kundu, Asish K.; Yu Mychinko, Mikhail; Caignaert, Vincent; Lebedev, Oleg I.; Volkova, Nadezhda E.; Deryabina, Ksenia M.; Cherepanov, Vladimir A.; Raveau, Bernard

2015-01-01

Investigation of the Nd_2_−_εBa_3_+_ε(Fe,Co)_5O_1_5_−_δ system, combining X-ray diffraction and electron microscopy, has allowed a tetragonal quintuple ordered perovskite “a_p×a_p×5a_p” phasoid inter-grown within a single cubic perovskite matrix to be evidenced for ε=0. This nanoscale chemically twinned perovskite is compared with other members, Ln=Sm, Eu, Pr. The unusual long range ordering of the layers develops strains due to size mismatch between Ba"2"+ and Ln"3"+ cations. Importantly, two factors allow the strains to be decreased: (i) special intergrowths of double (LnBaFe_2O_6_−_δ) and triple (LnBa_2Fe_3O_9_−_δ) perovskite ribbons/layers oriented at 90°, (ii) nanoscale chemical twinning. The spin locking effect of the nano-domain boundaries upon the magnetic properties of these perovskites is discussed. - Graphical abstract: Nd_2Ba_3Fe_5O_1_4_._5_4 is a tetragonal quintuple perovskite phasoid embedded in a simple cubic perovskite matrix, which shows collinear antiferromagnetic behavior.

Enhanced relative cooling power of Fe-doped La{sub 0.67}Sr{sub 0.22}Ba{sub 0.11}Mn{sub 1-x}Fe{sub x}O{sub 3} perovskites: Structural, magnetic and magnetocaloric properties

Energy Technology Data Exchange (ETDEWEB)

Ben Hassine, R.; Cherif, W. [Sfax University, Faculty of Sciences, B. P. 1171, 3000 (Tunisia); Alonso, J.A., E-mail: ja.alonso@icmm.csic.es [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, Cantoblanco, E-28049 Madrid (Spain); Mompean, F. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Científicas, Cantoblanco, E-28049 Madrid (Spain); Fernández-Díaz, M.T. [Institut Laue-Langevin, B.P. 156, F-38042 Grenoble Cedex 9 (France); Elhalouani, F. [Sfax University, National School of Engineers, B. P. W 3038 (Tunisia)

2015-11-15

We present the structural and magnetic properties of a novel series of La{sub 0.67}Sr{sub 0.22}Ba{sub 0.11}Mn{sub 1-x}Fe{sub x}O{sub 3} (0 ≤ x ≤ 0.3) perovskites prepared by the sol–gel method. These oxides were characterized by x-ray (XRD), neutron powder diffraction (NDP) at room temperature and magnetization measurements versus temperature and various applied magnetic fields. The NPD data, very sensitive to the octahedral tilting, show a crystallographic phase transition from an orthorhombic structure (Pnma) for x = 0 to a rhombohedral structure (R-3c) for Fe-doped samples. Magnetic data show that x = 0 and x = 0.1 perovskites exhibit a paramagnetic–ferromagnetic transition at low temperature, while for 0.2 ≤ x ≤ 0.3 a strong divergence between ZFC and FC curves suggest the presence of antagonistic antiferromagnetic and ferromagnetic interactions. The magnetic entropy change (|ΔSmax|) takes values of 2.46 J kg{sup −1} K{sup −1}, 2.43 J kg{sup −1} K{sup −1} and 0.91 J kg{sup −1} for x = 0, x = 0.1 and 0.2, respectively at 5 T. The relative cooling power (RCP) amounts 169 J Kg{sup −1}, 241 J Kg{sup −1} and 70 J Kg{sup −1} at 5 T for x = 0, 0.1, 0.2 respectively. These values are compared favorably with those of some others reported manganites, making La{sub 0.67}Sr{sub 0.22}Ba{sub 0.11}Mn{sub 0.9}Fe{sub 0.1}O{sub 3} a promising candidate for magnetic refrigeration. - Graphical abstract: The title perovskites present a crystallographic phase transition from an orthorhombic structure (Pnma) for x = 0 to a rhombohedral structure (R-3c) for Fe-doped samples, as shown in a neutron study. Magnetic data show that x = 0 and x = 0.1 perovskites exhibit sharp paramagnetic–ferromagnetic transitions. The relative cooling power (RCP) is as high as 241 J Kg{sup −1} for x = 0.1, being a promising candidate for magnetic refrigeration. - Highlights: • Novel Fe-doped manganite oxides prepared by a sol–gel procedure. • Neutron diffraction shows

Microstructural and electrical properties of (La0.5-xPrxBa0.5)(Mn0.5Ti0.5)O3 perovskite

International Nuclear Information System (INIS)

Nor Hayati Alias; Abdul Halim Shaari; Wan Mohd Daud Wan Yusoff; Che Seman Mahmood

2009-01-01

Full text: A single phase new perovskite based titanio-manganite (La 0.5-x Pr x Ba 0.5 )(Mn 0.5 Ti 0.5 )O 3 has been successfully prepared by ceramic C. The concentration of solid-state technique at sintering temperature of 1300 Pr (Praseodymium), x, in molar proportion in A site has been varied as x = 0.0, 0.2 and 0.02. Analysis has been carried out to determine the electrical properties of the synthesized material at frequency of 1 MHz and at temperature range between 25 to 200 degree Celsius. It is found that Pr addition promoted liquid sintering diffusion, porosity and agglomeration formation at 1300 degree Celsius. Dual relaxation is observed in unsubstituted Pr sample x = 0 and high Pr substituted sample x=0.2. This phenomenon was a combinational contribution from a quasi dc (QDC) low frequency dispersion and two cole-cole relaxational response. While low concentrated Pr substituted sampled x=0.02 shows a combinational contribution from a quasi dc (QDC) low frequency dispersion and single cole-cole relaxational response at room temperature. Pr substitution at x=0 and x=0.2 showed high dielectric values compared to low substituted sample x = 0.02. Variation of dielectric loss tangent (tan ) are observed for all samples at temperature ranged studied. (author)

Nanocrystals of a new complex perovskite dielectric Ba{sub 2}TmSbO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Nair, V.M. [Department of Physics, University College, Trivandrum 695034, Kerala (India); Jose, R., E-mail: rjose@ump.edu.my [Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, 26300 Kuantan (Malaysia); Anil Kumar, G.M. [Noritake Co Ltd, 300 Higashiyama, Miyoshi, Aichi 470-0293 (Japan); Yusoff, Mashitah M. [Faculty of Industrial Sciences and Technology, Universiti Malaysia Pahang, 26300 Kuantan (Malaysia); Wariar, P.R.S. [Department of Physics, University College, Trivandrum 695034, Kerala (India)

2012-01-25

Highlights: Black-Right-Pointing-Pointer A new material, Ba{sub 2}TmSbO{sub 6}, has been synthesized as nanocrystals for the first time. Black-Right-Pointing-Pointer A combustion process, characterized by a one-pot procedure, was adopted to synthesize Ba{sub 2}TmSbO{sub 6} as nanocrystals. Black-Right-Pointing-Pointer Crystal structure and dielectric properties of the Ba{sub 2}TmSbO{sub 6} have been studied and compared with similar materials. - Abstract: Nanocrystals of a new complex perovskites ceramic oxide, barium thulium antimony oxide - Ba{sub 2}TmSbO{sub 6}, were synthesized using a single step auto-ignition combustion process. The combustion product was single phase and composed of aggregates of nanocrystals of sizes in the range 20-50 nm. Ba{sub 2}TmSbO{sub 6} crystallized in cubic perovskite structure with lattice parameter, a = 8.4101 Angstrom-Sign . The polycrystalline fluffy combustion product was sintered to high density ({approx}97%) at {approx}1450 Degree-Sign C for 4 h. Resistivity of the sintered specimen was {approx}5 M{Omega}/cm. The Ba{sub 2}TmSbO{sub 6} has dielectric constant ({epsilon} Prime ) and dielectric loss (tan {delta}) of 17 and {approx}10{sup -4} at 5 MHz; the new material would probably be developed as a low-loss dielectric material.

Fabrication of Polycrystalline Lanthanum Manganite (La0.99 Mn0.01 O3) Powder and Fibres by Electrospinning Method

International Nuclear Information System (INIS)

Yin Yin Win; That Htar Lwin; Than Than Win; Yin Maung Maung; Ko Ko Kyaw Soe

2011-12-01

Lanthanum manganite (La0.99 Mn0.01 O3) powder have been prepared by using pyrolysis methods. Lanthanum manganite fibres were successfully fabricated by electro-spinning utilizing precursors. Polycrystalline perovskite structure lanthanum manganite powder and fibres showed that the grain size and crystal grain increased significantly with the increase in calcination temperature. A variety of techniques (SEM, FT-IR and TG-DTA) were employed to study the morphology and fibre quality, crystal structure, and thermal analysis of La0.99 Mn0.01 O3 specimen respectively.

Oxide perovskites with tetravalent dysprosium and compounds of the type Ba/sub 3/RE/sub 4/O/sub 9/ (RE = Rare Earth Element)

Energy Technology Data Exchange (ETDEWEB)

Brauer, G; Kristen, H [Freiburg Univ. (Germany, F.R.)

1980-03-01

In analogy to our investigations concerning tetravalent Nd in oxide perovskites, we also tried to stabilize dysprosium(IV) by incorporation in host-lattices with the perovskite structure. As host-lattices we used BaCeO/sub 3/, BaTbO/sub 3/, and SrTbO/sub 3/. Only in Ba(Ce, Dy)O/sub 3/ we could trace Dy(IV) with certainty. Among the prepared mixed oxides, also the phase Ba/sub 3/Dy/sub 4/O/sub 9/ occured. The lattice parameters of several phases of this latter type were redetermined.

pn junctions based on a single transparent perovskite semiconductor BaSnO3

Science.gov (United States)

Kim, Hoon Min; Kim, Useong; Park, Chulkwon; Kwon, Hyukwoo; Lee, Woongjae; Kim, Tai Hoon; Kim, Kee Hoon; Char, Kookrin; Mdpl, Department Of Physics; Astronomy Team; Censcmr, Department Of Physics; Astronomy Team

2014-03-01

Successful p doping of transparent oxide semiconductor will further increase its potential, especially in the area of optoelectronic applications. We will report our efforts to dope the BaSnO3 (BSO) with K by pulsed laser deposition. Although the K doped BSO exhibits rather high resistivity at room temperature, its conductivity increases dramatically at higher temperatures. Furthermore, the conductivity decreases when a small amount of oxygen was removed from the film, consistent with the behavior of p type doped oxides. We have fabricated pn junctions by using K doped BSO as a p type and La doped BSO as an n type material. I_V characteristics of these devices show the typical rectifying behavior of pn junctions. We will present the analysis of the junction properties from the temperature dependent measurement of their electrical properties, which shows that the I_V characteristics are consistent with the material parameters such as the carrier concentration, the mobility, and the bandgap. Our demonstration of pn junctions based on a single transparent perovskite semiconductor further enhances the potential of BSO system with high mobility and stability.

Mechanism of luminescent enhancement in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by Li{sup +} co-doping

Energy Technology Data Exchange (ETDEWEB)

Rezende, Marcos Vinicius dos Santos [Departamento de Física, Universidade Federal de Sergipe, 49500-000, Itabaiana, SE (Brazil); Valério, Mario Ernesto Giroldo [Departamento de Física, Universidade Federal de Sergipe, 49100-000 São Cristóvão, SE (Brazil); Mouta, Rodolpho; Diniz, Eduardo Moraes [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Paschoal, Carlos William de Araujo, E-mail: paschoal@ufma.br [Departamento de Física, CCET, Universidade Federal do Maranhão, 65085-580 São Luís, MA (Brazil); Department of Materials Science and Engineering, University of California Berkeley, 94720-1760 Berkeley, CA (United States); Department of Physics, University of California Berkeley, 94720-7300 Berkeley, CA (United States)

2015-02-15

We investigated the Li{sup +} ion incorporation in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by atomistic simulations based on energy minimization. We predicted the most probable sites occupied by Eu{sup 3+} and Li{sup +} ions and the related charge-compensation mechanisms involved into these substitutions. The results show that the Eu{sup 3+} and Li{sup +} ions are incorporated mainly at the Gd{sup 3+} site. In the Li{sup +} ion case, there is a charge compensation by Nb{sub Gd}{sup •} {sup •} antisite. The crystal field parameters and the transition levels for the Eu{sup 3+} ion in the BGN:Eu{sup 3+} were calculated with basis on the simulated local symmetry of the Eu{sup 3+} site. The results show that the mechanism of luminescent properties enhancement is the symmetry distortion induced by the Li{sup +} co-doping. - Highlights: • We performed a full defect calculations in Ba{sub 2}GdNbO{sub 6} double perovskite. • We modeled with excellent agreement the optical transition of Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} crystal. • We explained the mechanism of luminescent enhancement in Ba{sub 2}GdNbO{sub 6}:Eu{sup 3+} perovskite by Li{sup +} co-doping.

Crystal structures of the double perovskites Ba2Sr1-x Ca x WO6

International Nuclear Information System (INIS)

Fu, W.T.; Akerboom, S.; IJdo, D.J.W.

2007-01-01

Structures of the double perovskites Ba 2 Sr 1- x Ca x WO 6 have been studied by the profile analysis of X-ray diffraction data. The end members, Ba 2 SrWO 6 and Ba 2 CaWO 6 , have the space group I2/m (tilt system a 0 b - b - ) and Fm3-barm (tilt system a 0 a 0 a 0 ), respectively. By increasing the Ca concentration, the monoclinic structure transforms to the cubic one via the rhombohedral R3-bar phase (tilt system a - a - a - ) instead of the tetragonal I4/m phase (tilt system a 0 a 0 c - ). This observation supports the idea that the rhombohedral structure is favoured by increasing the covalency of the octahedral cations in Ba 2 MM'O 6 -type double perovskites, and disagrees with a recent proposal that the formation of the π-bonding, e.g., d 0 -ion, determines the tetragonal symmetry in preference to the rhombohedral one. - Graphical abstract: Enlarged sections showing the evolution of the basic (222) and (400) reflections in Ba 2 Sr 1- x Ca x WO 6 . Tick marks below are the positions of Bragg's reflections calculated using the space groups I2/m (x=0), R3-bar (x=0.25, 0.5 and 0.75) and Fm3-barm (x=1), respectively

Oxygen permeability of perovskite-type BaBi1-xLaxO3-δ

International Nuclear Information System (INIS)

Yaremchenko, A.A.; Kharton, V.V.; Viskup, A.P.; Naumovich, E.N.; Samokhval, V.V.

1998-01-01

Oxygen permeability, electrical conductivity, and thermal expansion of BaBi 1-x La x O 3-δ (x = 0, 0.2, and 0.4) perovskite-like solid solutions have been found to decrease with lanthanum content. Thermal expansion coefficients of the ceramics are (11.9--12.8) x 10 -6 K -1 . Oxygen transport through the BaBi(La)O 3-δ dense ceramic membranes within the membrane thickness range of 0.6 < d < 1.2 mm has been shown to be limited by both bulk ionic conductivity and surface exchange rate

Influence of BaO in perovskite electrodes for the electrochemical reduction of NOx

DEFF Research Database (Denmark)

Simonsen, Vibe Louise Ernlund; Johnsen, M.M.; Kammer Hansen, Kent

2007-01-01

Using the point electrode method, the effect of BaO on electrochemical reduction of NO (x) was investigated using the perovskites La0.85Sr0.15MnO3 (LSM15) and La0.85Sr0.15CoO3 (LSCo15) as electrode materials. The experiments were carried out in the temperature range 400-600 degrees C in 1% NO and...... favored oxygen reduction compared to reduction of nitric oxide. The LSCO15 electrode containing BaO reacted to form a K2NiF4-structure and was not tested further....

Band Structure Analysis of La0.7Sr0.3MnO3 Perovskite Manganite Using a Synchrotron

Directory of Open Access Journals (Sweden)

Hong-Sub Lee

2015-01-01

Full Text Available Oxide semiconductors and their application in next-generation devices have received a great deal of attention due to their various optical, electric, and magnetic properties. For various applications, an understanding of these properties and their mechanisms is also very important. Various characteristics of these oxides originate from the band structure. In this study, we introduce a band structure analysis technique using a soft X-ray energy source to study a La0.7Sr0.3MnO3 (LSMO oxide semiconductor. The band structure is formed by a valence band, conduction band, band gap, work function, and electron affinity. These can be determined from secondary electron cut-off, valence band spectrum, O 1s core electron, and O K-edge measurements using synchrotron radiation. A detailed analysis of the band structure of the LSMO perovskite manganite oxide semiconductor thin film was established using these techniques.

Ordered oxygen deficient '112'perovskites, LnBaCo2 O5⋅ 50 ...

Indian Academy of Sciences (India)

... Refresher Courses · Symposia · Live Streaming. Home; Journals; Bulletin of Materials Science; Volume 32; Issue 3. Ordered oxygen deficient '112' perovskites, LnBaCo2O5.50+: complex magnetism and transport properties. B Raveau Md Motin Seikh V Pralong V Caignaert. Volume 32 Issue 3 June 2009 pp 305-312 ...

Dielectric behaviour of (Ba,Sr)TiO3 perovskite borosilicate glass ceramics

International Nuclear Information System (INIS)

Yadav, Avadhesh Kumar; Gautam, C.R.

2013-01-01

Various perovskite (Ba,Sr)TiO 3 borosilicate glasses were prepared by rapid melt-quench technique in the glass system ((Ba 1-x Sr x ).TiO 3 )-(2SiO 2 .B 2 O 3 )-(K 2 O)-(La 2 O 3 ). On the basis of differential thermal analysis results, glasses were converted into glass ceramic samples by regulated heat treatment schedules. The dielectric behaviour of crystallized barium strontium titanate borosilicate glass ceramic samples shows diffuse phase transition. The study depicts the dielectric behaviour of glass ceramic sample BST5K1L0.2S814. The double relaxation was observed in glass ceramic samples corresponding 80/20% Ba/Sr due to change in crystal structure from orthorhombic to tetragonal and tetragonal to cubic with variation of temperature. The highest value of dielectric constant was found to be 48289 for the glass ceramic sample BST5K1L0.2S814. The high value of dielectric constant attributed to space charge polarization between the glassy phase and perovskite phase. Due to very high value of dielectric constant, such glass ceramics are used for high energy storage devices. La 2 O 3 acts as nucleating agent for crystallization of glass to glass ceramics and enhances the dielectric constant and retarded dielectric loss. Such glass ceramics can be used in high energy storage devices such as barrier layer capacitors, multilayer capacitors etc. (author)

Crystal structure and magnetism of layered perovskites compound EuBaCuFeO5

Science.gov (United States)

Lal, Surender; Mukherjee, K.; Yadav, C. S.

2018-04-01

Layered perovskite compounds have interesting multiferroic properties.YBaCuFeO5 is one of the layered perovskite compounds which have magnetic and dielectric transition above 200 K. The multiferroic properties can be tuned with the replacement of Y with some other rare earth ions. In this manuscript, structural and magnetic properties of layered perovskite compound EuBaCuFeO5 have been investigated. This compound crystallizes in the tetragonal structure with P4mm space group and is iso-structural with YBaCuFeO5. The magnetic transition has been found to shift to 120 K as compared to YBaCuFeO5 which has the transition at 200 K. This shift in the magnetic transition has been ascribed to the decrease in the chemical pressure that relaxes the magnetic moments.

Ordered perovskites with cationic vacancies. 11. System Ba/sub 2/Gd/sub 2/3/vacant/sub 1/3/U/sub 1-x/W/sub x/O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Wischert, W; Oelkrug, D; Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-12-01

The cation deficient polymorphic perovskites Ba/sub 2/Gd/sub 2/3/vacant/sub 1/3/UO/sub 6/ and Ba/sub 2/Gd/sub 2/3/vacant/sub 1/3/WO/sub 6/ form a continuous series of mixed crystals, which crystallize over a wide range (x = 0.1 up to 0.99) in a cubic 1:1 ordered perovskite lattice. According to the investigations of the vibrational spectra, the diffuse reflectance spectra, and the photoluminescence - opposite to isostructural perovskites wihout vacancies - different species of UO/sub 6/ and WO/sub 6/ octahedra are present. Numerous differences in properties - e.g. an orange emission colour in comparison with a green one by absence of vacancies - are based upon that.

High performance magnetocaloric perovskites for magnetic refrigeration

DEFF Research Database (Denmark)

Bahl, Christian R. H.; Velazquez, David; Nielsen, Kaspar K.

2012-01-01

We have applied mixed valance manganite perovskites as magnetocaloric materials in a magnetic refrigeration device. Relying on exact control of the composition and a technique to process the materials into single adjoined pieces, we have observed temperature spans above 9 K with two materials...

Coherent intergrowth of simple cubic and quintuple tetragonal perovskites in the system Nd{sub 2−ε}Ba{sub 3+ε}(Fe{sub ,}Co){sub 5}O{sub 15−δ}

Energy Technology Data Exchange (ETDEWEB)

Kundu, Asish K. [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Yu Mychinko, Mikhail [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Department of Chemistry, Institute of Natural Sciences, Ural Federal University, Lenin av. 51, Yekaterinburg 620000 (Russian Federation); Caignaert, Vincent; Lebedev, Oleg I. [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Volkova, Nadezhda E.; Deryabina, Ksenia M.; Cherepanov, Vladimir A. [Department of Chemistry, Institute of Natural Sciences, Ural Federal University, Lenin av. 51, Yekaterinburg 620000 (Russian Federation); Raveau, Bernard, E-mail: bernard.raveau@ensicaen.fr [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France)

2015-11-15

Investigation of the Nd{sub 2−ε}Ba{sub 3+ε}(Fe,Co){sub 5}O{sub 15−δ} system, combining X-ray diffraction and electron microscopy, has allowed a tetragonal quintuple ordered perovskite “a{sub p}×a{sub p}×5a{sub p}” phasoid inter-grown within a single cubic perovskite matrix to be evidenced for ε=0. This nanoscale chemically twinned perovskite is compared with other members, Ln=Sm, Eu, Pr. The unusual long range ordering of the layers develops strains due to size mismatch between Ba{sup 2+} and Ln{sup 3+} cations. Importantly, two factors allow the strains to be decreased: (i) special intergrowths of double (LnBaFe{sub 2}O{sub 6−δ}) and triple (LnBa{sub 2}Fe{sub 3}O{sub 9−δ}) perovskite ribbons/layers oriented at 90°, (ii) nanoscale chemical twinning. The spin locking effect of the nano-domain boundaries upon the magnetic properties of these perovskites is discussed. - Graphical abstract: Nd{sub 2}Ba{sub 3}Fe{sub 5}O{sub 14.54} is a tetragonal quintuple perovskite phasoid embedded in a simple cubic perovskite matrix, which shows collinear antiferromagnetic behavior.

Evolution and control of the phase competition morphology in a manganite film

Science.gov (United States)

Zhou, Haibiao; Wang, Lingfei; Hou, Yubin; Huang, Zhen; Lu, Qingyou; Wu, Wenbin

2015-11-01

The competition among different phases in perovskite manganites is pronounced since their energies are very close under the interplay of charge, spin, orbital and lattice degrees of freedom. To reveal the roles of underlying interactions, many efforts have been devoted towards directly imaging phase transitions at microscopic scales. Here we show images of the charge-ordered insulator (COI) phase transition from a pure ferromagnetic metal with reducing field or increasing temperature in a strained phase-separated manganite film, using a home-built magnetic force microscope. Compared with the COI melting transition, this reverse transition is sharp, cooperative and martensitic-like with astonishingly unique yet diverse morphologies. The COI domains show variable-dimensional growth at different temperatures and their distribution can illustrate the delicate balance of the underlying interactions in manganites. Our findings also display how phase domain engineering is possible and how the phase competition can be tuned in a controllable manner.

Perovskite phases in the systems Asup(II)O-UO/sub 3/. 1. Tetragonal perovskite Ba/sub 2/Basub(7/8)vacantsub(1/8)UO/sub 5/sub(7/8)

Energy Technology Data Exchange (ETDEWEB)

Griffiths, A J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.)

1979-10-01

The new tetragonal compound Ba/sub 2/Basub(7/8)vacantsub(1/8)UO/sub 5/sub(7/8) (a = 2 x 6.31/sub 2/ A; c = 2 x 8.76/sub 7/ A) has been found besides Ba/sub 3/UO/sub 6/ (triclinic) in the BaO-UO/sub 3/ system. It crystallizes with a superstructure of perovskite type. The differences in properties between Ba/sub 3/UO/sub 6/ and Ba/sub 2/Basub(7/8)vacantsub(1/8) UO/sub 5/sub(7/8) are discussed.

Structural and thermodynamic characterization of the perovskite-related BA{sub 1+y}UO{sub 3+x} and (BA,SR){sub 1+y}UO{sub 3+x} phases

Energy Technology Data Exchange (ETDEWEB)

Cordfunke, E.H.P. [Netherlands Energy Research Foundation (ECN), Petten (Netherlands); Booij, A.S. [Netherlands Energy Research Foundation (ECN), Petten (Netherlands); Smit-Groen, V. [Netherlands Energy Research Foundation (ECN), Petten (Netherlands); Vlaanderen, P. van [Netherlands Energy Research Foundation (ECN), Petten (Netherlands); IJdo, D.J.W. [Rijksuniversiteit Leiden (Netherlands). Gorlaeus Labs.

1996-11-01

The perovskite-type BaUO{sub 3} structure has been investigated by X-ray and neutron diffraction. The Ba/U ratio, the (Ba, Sr)/U ratio, and the oxygen stoichiometry in Ba{sub 1+y}UO{sub 3+x} were varied, and the integral enthalpies of formation determined by solution calorimetry. In addition, equilibrium oxygen partial pressures were measured using a reversible EMF cell. The chemical defect mechanism is discussed, and it is shown that a continuous series BaUO{sub 3}-Ba{sub 1+y}UO{sub 3+x}-Ba{sub 3}UO{sub 6} exist in which uranium vacancies are gradually filled up with barium ions, whereas uranium is oxidized via the pentavalent to the hexavalent state in Ba{sub 3}UO{sub 6}(=Ba{sub 2}(Ba, U)O{sub 6}). (orig.).

Topotactic reduction as a route to new close-packed anion deficient perovskites: structure and magnetism of 4H-BaMnO(2+x).

Science.gov (United States)

Hadermann, Joke; Abakumov, Artem M; Adkin, Josephine J; Hayward, Michael A

2009-08-05

The anion-deficient perovskite 4H-BaMnO(2+x) has been obtained by a topotactic reduction, with LiH, of the hexagonal perovskite 4H-BaMnO(3-x). The crystal structure of 4H-BaMnO(2+x) was solved using electron diffraction and X-ray powder diffraction and further refined using neutron powder diffraction (S.G. Pnma, a = 10.375(2) A, b = 9.466(2) A, c = 11.276(3) A, at 373 K). The orthorhombic superstructure arises from the ordering of oxygen vacancies within a 4H (chch) stacking of close packed c-type BaO(2.5) and h-type BaO(1.5) layers. The ordering of the oxygen vacancies transforms the Mn(2)O(9) units of face-sharing MnO(6) octahedra into Mn(2)O(7) (two corner-sharing tetrahedra) and Mn(2)O(6) (two edge-sharing tetrahedra) groups. The Mn(2)O(7) and Mn(2)O(6) groups are linked by corner-sharing into a three-dimensional framework. The structures of the BaO(2.5) and BaO(1.5) layers are different from those observed previously in anion-deficient perovskites providing a new type of order pattern of oxygen atoms and vacancies in close packed structures. Magnetization measurements and neutron diffraction data reveal 4H-BaMnO(2+x) adopts an antiferromagnetically ordered state below T(N) approximately 350 K.

Electronic Structure of the Double Perovskite Ba2Er(Nb,Sb)O6

International Nuclear Information System (INIS)

Rebaza, A V Gil; Toro, C E Deluque; Téllez, D A Landínez; Roa-Rojas, J

2014-01-01

In this work, we present a detailed study of the structural and the electronic structure of the double perovskite Ba 2 Er(Nb,Sb)O 6 . All calculations were performed with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) based on the Density Functional Theory (DFT). From the minimization of energy as a function of volume using the Murnaghan's state equation has been obtained the equilibrium lattice parameter and the bulk modulus of these compounds. The study of the electronic structure was based in the analysis of the electronic density of states (DOS), and the density of charge, showing that these compounds have a total magnetic moment of 3.0 μ B per formula unit due to Er atoms

Thermal properties of perovskite RCeO{sub 3} (R = Ba, Sr)

Energy Technology Data Exchange (ETDEWEB)

Shukla, Aarti, E-mail: aarti.phy@gmail.com [Department of Physics, Barkatullah University, Bhopal 462026 (India); Parey, Vanshree; Thakur, Rasna [Department of Physics, Barkatullah University, Bhopal 462026 (India); Srivastava, Archana [Department of Physics, Sri Sathya Sai College for women, Bhopal 462024 (India); Gaur, N.K. [Department of Physics, Barkatullah University, Bhopal 462026 (India)

2015-08-20

Highlights: • (Ba,Sr)CeO{sub 3} are high temperature protonic conductor materials. • This makes their thermal properties very interesting. • MRIM has successfully predicted the thermodynamic properties. • The computed results are in good agreement with the available experimental data. • Present results will serve as guide to experimental workers in future. - Abstract: We have investigated the bulk modulus and thermal properties of proton conducting perovskite RCeO{sub 3} (R = Ba, Sr) for the first time by incorporating the effect of lattice distortion in modified rigid ion models (MRIM). The computed bulk modulus, specific heat, thermal expansion coefficient and other thermal properties of BaCeO{sub 3} and SrCeO{sub 3} reproduce well with the available experimental data. In addition the cohesive energy (ϕ), molecular force constant (f), reststrahlen frequency (ν), Debye temperature (θ{sub D}) and Gruneisen parameter (γ) are also reported and discussed. The specific heat results can further be improved by taking into account the spin and the orbital ordering contribution in the specific heat formulae.

Magnetoimpedance effect in manganite La2/3Ba1/3MnO3 at various temperatures

International Nuclear Information System (INIS)

Hu Jifan; Qin Hongwei; Niu Hongdong; Zhu Luming; Chen Juan; Xiao Weiwei; Pei Yu

2003-01-01

In the present work, the magnetoimpedance (MI) effect for the manganite La 2/3 Ba 1/3 MnO 3 at various temperatures was reported. At a lower frequency such as f=100 kHz, the metal-insulator transition temperature T MI deduced from the peak in the temperature dependence of the AC impedance Z is very close to the value obtained from the DC resistance case, meanwhile there exists a peak of the MI ΔZ/Z 0 near the T MI . Similar to the case of DC colossal magnetoresistance effect, the T MI in MI effect can be shifted to a high temperature under application of a DC field. At a higher frequency such as f=23 MHz, a valley of the impedance Z dominated by the term of the reactance X occurs at the T MI , which can be moved by a field. The impedance Z increases with increasing AC frequency due to the skin effect. The variation of the resistance R with AC frequency strongly depends on the temperature. Below the T MI , the R increases with frequency. Above the T MI , with increasing AC frequency the R increases slightly at first, undergoes a valley, and finally increases again. Our present results imply that the interplay between the double-exchange effect and the electron-phonon coupling may also involve in the MI effect of the manganites, in addition to the variation of penetration depth via the permeability and conductivity under the application of DC fields

Ruthenium perovskites of type Ba/sub 2/BRuO/sub 6/ and Ba/sub 3/BRu/sub 2/O/sub 9/ with B = indium, rhodium

Energy Technology Data Exchange (ETDEWEB)

Schaller, H U; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-02-01

The black perovskites Ba/sub 2/InRu/sup 5 +/O/sub 6/ and Ba/sub 3/InRu/sub 2/O/sub 9/ (mean oxydation state of ruthenium: +4.5) adopt the hexagonal BaTiO/sub 3/ structure and form a continuous series of mixed crystals. According to the intensity calculations and analysis of the vibrational spectroscopic data an ordered distribution between indium and ruthenium is present: 1:1 order in Ba/sub 2/RuO/sub 6/ (space group P-3m1 respective Dsub(3d)/sup 3/; R' = 5.3%); 1:2 order in Ba/sub 3/InRu/sub 2/O/sub 9/ (space group P6/sub 3//mmc respective Dsub(6h)/sup 4/; R' = 4.6%). The corresponding black Rh compounds, Ba/sub 2/RhRuO/sub 6/ and Ba/sub 3/RhRu/sub 2/O/sub 9/, crystallize in the rhombohedral 9 L type of BaRuO/sub 3/ (author).

Catalytic N 2O decomposition on Pr 0.8Ba 0.2MnO 3 type perovskite catalyst for industrial emission control

Czech Academy of Sciences Publication Activity Database

Kumar, S.; Vinu, A.; Šubrt, Jan; Bakardjieva, Snejana; Rayalu, S.; Teraoka, Y.; Labhsetwar, N.

2012-01-01

Roč. 198, 1-SI (2012), s. 125-132 ISSN 0920-5861 R&D Projects: GA MŠk LC523 Institutional support: RVO:61388980 Keywords : Ba substituted perovskite * catalyst * honeycomb * N 2O decomposition * perovskite * praseodymium manganate Subject RIV: CA - Inorganic Chemistry Impact factor: 2.980, year: 2012

Ordered perovskites with cationic vacancies. 4. Compounds of type Ba/sub 6/B/sub 2/sup(III)vacantTe/sub 3/sup(VI)O/sub 18/

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1979-07-01

Compounds of the composition Ba/sub 6/B(III)/sub 2/vacantTe(VI)/sub 3/O/sub 18/ equivalent to Ba/sub 2/Ba(III)sub(2/3)vacantsub(1/3)Te(VI)O/sub 6/, with B(III) = Pr, Nd, Sm-Lu, Y crystallize with a cubic perovskite lattice. The cell parameters diminish as the size of B(III) falls (B(III) = Pr: a = 8.52 A; Lu: a = 8.33 A). In contrast to the corresponding perovskites with U(VI) and W(VI) no polymorphism is observed.

Ferromagnetism and half metallicity induced by oxygen vacancies in the double perovskite BaSrNiWO{sub 6}: DFT study

Energy Technology Data Exchange (ETDEWEB)

Aharbil, Y. [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Labrim, H. [Unité Science de la Matière/DERS/Centre National de l’Energie, des Sciences et des Techniques Nucléaires (CNESTEN), Rabat (Morocco); Benmokhtar, S.; Haddouch, M. Ait [Laboratoire de Chimie Physique des Matériaux LCPM, Faculté des Sciences Ben M' Sik, Casablanca (Morocco); Bahmad, L., E-mail: bahmad@fsr.ac.ma [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco); Belhaj, A. [LIRST, Département de Physique, Faculté Poly-disciplinaire, Université Sultan Moulay Slimane, Béni Mellal (Morocco); Ez-Zahraouy, H.; Benyoussef, A. [Mohammed V University in Rabat, Laboratoire de Magnétisme et Physique des Hautes Energies L.M.P.H.E. URAC-12, B.P. 1014, Rabat (Morocco)

2016-11-01

Using the spin polarized density functional theory (DFT) and exploring the Plane-Wave Self-Consistent Field (PWscf) code implemented in Quantum-ESPRESSO package, we investigate the effect of the Oxygen vacancies (V{sub O}) and the Oxygen interstitial (O{sub i}) on the double perovskite BaSrNiWO{sub 6}. This deals with the magnetic ordering and the electronic structure in such a pure sample exhibiting the insulating anti-ferromagnetic (AFM) state. This study shows that the presence of oxygen deficient defects converts the insulating to half metal with ferromagnetic or anti-ferromagnetic states. The magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell. However, it has been shown that the Oxygen interstitial preserves the anti-ferromagnetic propriety. We have computed the formation energies of different positions of the Oxygen vacancy (V{sub O}) and the Oxygen interstitial (O{sub i}) in the BaSrNiWO{sub 6} compound. We showed that the formation of V{sub O} is easier and vice versa for the O{sub i} formation. The obtained results reveal(V{sub O}) and the Oxygen interstitial (O{sub i}) that the anti-ferromagnetic can be converted to ferromagnetic in the double perovskite BaSrNiWO{sub 6} induced by Oxygen vacancies V{sub O}. - Highlights: • We have studied the ferromagnetism and Half Metallicity in Double Perovskite BaSrNiWO{sub 6}. • We have applied the Ab-inito calculations using the DFT approach. • We showed the effects induced by Oxygen Vacancies and Oxygen interstitial. • We found that the magnetic ordering in BaSrNiWO{sub 6−δ} depends on the position of the Oxygen vacancy in the unit cell.

Magnon Broadening Effects in Double Layered Manganite La_1.2 Sr_1.8 Mn_2 O_7

OpenAIRE

Furukawa, Nobuo; Hirota, Kazuma

1999-01-01

Magnon linewidth of La_1.2 Sr_1.8 Mn_2 O_7 near the Brillouin zone boundary is investigated from both theoretical and experimental points of view. Abrupt magnon broadening is ascribed to a strong magnon-phonon coupling. Magnon broadening observed in cubic perovskite manganites is also discussed.

All-perovskite transparent high mobility field effect using epitaxial BaSnO3 and LaInO3

Directory of Open Access Journals (Sweden)

Useong Kim

2015-03-01

Full Text Available We demonstrate an all-perovskite transparent heterojunction field effect transistor made of two lattice-matched perovskite oxides: BaSnO3 and LaInO3. We have developed epitaxial LaInO3 as the gate oxide on top of BaSnO3, which were recently reported to possess high thermal stability and electron mobility when doped with La. We measured the dielectric properties of the epitaxial LaInO3 films, such as the band gap, dielectric constant, and the dielectric breakdown field. Using the LaInO3 as a gate dielectric and the La-doped BaSnO3 as a channel layer, we fabricated field effect device structure. The field effect mobility of such device was higher than 90 cm2 V−1 s−1, the on/off ratio was larger than 107, and the subthreshold swing was 0.65 V dec−1. We discuss the possible origins for such device performance and the future directions for further improvement.

NMR of Colossal Magnetoresistive Manganites and Expanded Lattice Intermetallics at High Pressure

International Nuclear Information System (INIS)

Kapusta, Cz.; Riedi, P. C.

2001-01-01

A survey is given of NMR studies of colossal magnetoresistive manganese perovskites (RE,Ca,Sr,Ba)MnO 3 (RE = rare earth) and the interstitially modified permanent magnet materials, RE 2 Fe 17 A x (A = N, C, H) at ambient pressure and at applied pressures of up to 10 kbar. The different pressure behavior of the Mn hyperfine field found in the metallic and in the insulating manganite compounds is discussed and related to the micro- and macroscopic properties of these magnetically inhomogeneous materials. In the RE 2 Fe 17 A x compounds a different pressure behavior of the hyperfine field at the RE sites with different number and type of interstitial atom neighbors is discussed in terms of local compressibility. The influence of the interstitial modification and the applied pressure on the RE hyperfine field and quadrupole splitting is analyzed and the impact of the 'chemical pressure' and covalent effects on these quantities is compared. A comparison of the behavior of the magnetic state of the 4f electron shell with pressure and with interstitial modification is made and the relation to the magnetocrystalline anisotropy is discussed

Phase formation, structural and microstructural characterization of novel oxynitride-perovskites synthesized by thermal ammonolysis of (Ca,Ba)MoO4 and (Ca,Ba)MoO3

International Nuclear Information System (INIS)

Logvinovich, D.; Aguirre, M.H.; Hejtmanek, J.; Aguiar, R.; Ebbinghaus, S.G.; Reller, A.; Weidenkaff, A.

2008-01-01

Reactions of AMoO 4 and AMoO 3 (A=Ca 2+ , Ba 2+ ) with ammonia were investigated at 873 K 3 and to study their crystal structure. CaMo(O,N) 3 and BaMo(O,N) 3 were prepared by thermal ammonolysis of the corresponding CaMoO 3 and BaMoO 3 precursors at T=898 and 998 K, respectively. The structural parameters of the oxynitrides were obtained from Rietveld refinements of X-ray and neutron powder diffraction data. CaMo(O,N) 3 crystallizes in the GdFeO 3 distorted perovskite structure with orthorhombic space group Pbnm and a=5.5029(1) A, b=5.5546(1) A, c=7.8248(1) A as determined by X-ray powder diffraction. Its O/N content refined from the neutron diffraction data corresponds to the composition CaMoO 1.7(1) N 1.3(1) . BaMo(O,N) 3 crystallizes in the cubic perovskite structure with space group Pm3-bar m and a=4.0657(1) A as determined by X-ray powder diffraction. Transmission electron microscopy reveals a complex microstructure for both CaMoO 3 and CaMoO 1.7(1) N 1.3(1) represented by twin domains of different orientation. - Graphical abstract: Reactions of AMoO 4 and AMoO 3 (A=Ca 2+ , Ba 2+ ) oxides with ammonia have been studied at T=873-1123 K. Orthorhombic CaMoO 1.7(1) N 1.3(1) (Pbnm) and cubic BaMo(O,N) 3 (Pm3-bar m) were prepared by thermal ammonolysis of the corresponding CaMoO 3 and BaMoO 3 precursors at T=898 and 998 K, respectively. Display Omitted

Evolution and control of the phase competition morphology in a manganite film

OpenAIRE

Zhou, Haibiao; Wang, Lingfei; Hou, Yubin; Huang, Zhen; Lu, Qingyou; Wu, Wenbin

2015-01-01

The competition among different phases in perovskite manganites is pronounced since their energies are very close under the interplay of charge, spin, orbital and lattice degrees of freedom. To reveal the roles of underlying interactions, many efforts have been devoted towards directly imaging phase transitions at microscopic scales. Here we show images of the charge-ordered insulator (COI) phase transition from a pure ferromagnetic metal with reducing field or increasing temperature in a str...

Titania-coated manganite nanoparticles: synthesis of the shell, characterization and MRI properties

Czech Academy of Sciences Publication Activity Database

Jirák, Zdeněk; Kuličková, Jarmila; Herynek, Vít; Maryško, Miroslav; Koktan, Jakub; Kaman, Ondřej

2017-01-01

Roč. 427, Apr (2017), s. 245-250 ISSN 0304-8853 R&D Projects: GA ČR GA15-10088S; GA ČR GA16-04340S Institutional support: RVO:68378271 ; RVO:68378041 Keywords : magnetic nanoparticles * core-shell nanoparticles * titania coating * perovskite manganite * magnetic resonance imaging * transverse relaxivity Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 2.630, year: 2016

High resolution imaging of La0.5Ba0.5MnO-LaMnO superlattice

International Nuclear Information System (INIS)

Shapoval, O.; Belenchuk, A.; Verbeeck, J.; Moshnyaga, V.

2013-01-01

Full text: Artificial low dimensional systems of tailored on atomic layer level manganites is a very promising class of materials for future spintronic applications. The high resolution transmission electron microscopy imaging provides a powerful approach to extract structural, chemical and functional information on atomic level in a real space. Recently, we have reported on the Metalorganic Aerosol Deposition synthesis and properties of superlattices (SL) composed from (LaMnO 3 ) n and (La 0.5 Ba 0.5 MnO 3 ) 2n with n=1-2 of perovskite monolayers. The functional properties of digitally synthesized SL are similar to the optimal doped 'bulk' thin film material. The similarities between their properties can be interpreted in frame of the many-body interactions responsible for the properties of the single-layer and bilayer manganites. This work presents the systematic studies of atomically resolved structure of (LaMnO 3 ) n /(La 0.5 Ba 0.5 MnO 3 ) 2n , n=1 by high angle annular dark field scanning transmission electron microscopy (HAADF STEM) and electron energy loss spectroscopy (EELS). The combination of atomic-resolution Z-contrast and EELS represents a powerful method to link the atomic and electronic structure of solids with macroscopic properties. All images were obtained along orientations and low magnification one shows an overview of a whole 40-nm thick structure, whereas magnified high-resolution images demonstrate an epitaxial growth of LBMO/LMO superlattice on SrTiO 3 substrate. The SL-substrate interface is coherent and free of defects, but reveals a high level of La diffusion into SrTiO 3 . EELS together with STEM are used for probing of a local chemical composition as well as a local electronic state of transition metals and oxygen. Small modulations in the La and Ba EELS signals, which are corresponded to the LBMO and LMO layers, can be observed. The observed features at the substrate interface as well as the SL periodicity in EELS profiles are

Hexagonal perovskites with cationic vacancies. 4. Ba/sub 8/Re/sub 3/Msup(V)Wvacant/sub 3/O/sub 24/ with Msup(V) = Nb, Ta - perovskite stacking polytypes of 24 L type

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1978-11-01

The yellow perovskite stacking polytypes Ba/sub 8/Re/sub 3/NbWvacant/sub 3/O/sub 24/ and Ba/sub 8/Re/sub 3/TaWvacant/sub 3/O/sub 24/ have a rhombohedral layer structure of 24 L type with 3 formula units in the trigonal setting (Ba/sub 8/Re/sub 3/NbWvacant/sub 3/O/sub 24/: a = 5,82 A; c = 55.6 A; Ba/sub 8/Re/sub 3/TaWvacant/sub 3/O/sub 24/; a = 5,81 A; c = 55.6 A).

Oxygen perovskites with pentavalent ruthenium A/sub 2/sup(II)Bsup(III)Rusup(V)O/sub 6/ with Asup(II) = Ba, Sr

Energy Technology Data Exchange (ETDEWEB)

Bader, H; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-07-01

The perovskites Ba/sub 2/Bsup(III)Rusup(V)O/sub 6/ with Bsup(III) = La, Nd, Sm, Eu, Gd, Dy, Y are cubic (Bsup(III) = La: a = 8.54 A; Y: a = 8.33 A) with a partial order for Bsup(III) and Rusup(V). The Sc compound, Ba/sub 2/ScRuO/sub 6/, has a hexagonal 6L structure (a = 5.79 A; c = 14.22 A; sequence (hcc)/sub 2/). The lattice of the Sr perovskites, Sr/sub 2/Bsup(III)Rusup(V)O/sub 6/, with Bsup(III) = Eu, Gd, Dy, Y is rhombic distorted. The IR and FIR spectra are discussed.

Hexagonal perovskites with cationic vacancies. 29. Structure of Ba/sub 4/ScReWvacantO/sub 12/ - on the function of octahedral cationic vacancies in perovskite stacking polytypes

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Herrmann, M [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-09-01

The hexagonal perovskite stacking polytype Ba/sub 4/ScReWvacantO/sub 12/ crystallizes in a rhombohedral 12 L structure (space group R-3m; sequence (hhcc)/sub 3/). The refined, intensity related R' value is 6.6%. The octahedral net consists of blocks of three face connected octahedra with a central vacancy, in the two outer positions the rhenium and tungsten atoms are located; these units are linked via common corners by single octahedra, occupied with scandium. The construction principles of hexagonal oxygen perovskites with octahedral, cationic vacancies are reported.

Polymorphism of perovskite compounds Ba/sub 2/SEsub(0. 67)Wsup(VI)O/sub 6/. 2. The systems Ba/sub 2/Ndsub(0. 67(1-x))Ysub(0. 67x)WO/sub 6/ and Ba/sub 2/Ndsub(0. 67)Wsub(1-x)Usub(x)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Schnittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1977-06-01

In the system Ba/sub 2/Ndsub(0.67(1-x))Ysub(0.67x)WO/sub 6/ the formation of a continuous series of mixed crystals with cubic 1:1 ordered perovskite structure is observed. The existence of a hexagonal modification is confined to the Y-rich side (x => 0.9). In the Ba/sub 2/Ndsub(0.67)Wsub(1-x)Usub(x)O/sub 6/ series only for x =< 0.25 homogeneous cubic perovskites are obtained. In contrast to systems with other rare earths the Nd series show uncommon optical properties.

High-pressure BaCrO_3 polytypes and the 5H–BaCrO_2_._8 phase

International Nuclear Information System (INIS)

Arévalo-López, Angel M.; Paul Attfield, J.

2015-01-01

Polytypism of BaCrO_3 perovskites has been investigated at 900–1100 °C and pressures up to 22 GPa. Hexagonal 5H, 4H, and 6H perovskites are observed with increasing pressure, and the cubic 3C perovskite (a=3.99503(1) Å) is observed in bulk form for the first time at 19–22 GPa. An oxygen-deficient material with limiting composition 5H–BaCrO_2_._8 is synthesised at 1200 °C under ambient pressure. This contains double tetrahedral Cr"4"+ layers and orders antiferromagnetically below 260 K with a (0 0 1/2) magnetic structure. - Graphical abstract: Hexagonal 5H, 4H, and 6H perovskites polytypes of BaCrO_3 are observed with increasing pressure and the cubic 3C perovskite is stabilised in bulk form for the first time at 19–22 GPa. Oxygen-deficient 5H–BaCrO_2_._8 synthesised at ambient pressure contains double tetrahedral Cr"4"+ layers and orders antiferromagnetically below 260 K with a (0 0 1/2) magnetic structure.

The effect of strontium and barium doping on perovskite-structured energy materials for photovoltaic applications

Science.gov (United States)

Wu, Ming-Chung; Chen, Wei-Cheng; Chan, Shun-Hsiang; Su, Wei-Fang

2018-01-01

Perovskite solar cell is a novel photovoltaic technology with the superior progress in efficiency and the simple solution processes. Develop lead-free or lead-reduced perovskite materials is a significant concern for high-performance perovskite solar cell. Among the alkaline earth metals, the Sr2+ and Ba2+ are suitable for Pb2+ replacement in perovskite film due to fitting Goldschmidt's tolerance factor. In this study, we adopted Ba-doped and Sr-doped perovskite structured materials with different doping levels, including 1.0, 5.0, and 10.0 mol%, to prepare perovskite solar cells. Both Ba-doped and Sr-doped perovskite structured materials have a related tendency in absorption behavior and surface morphology. At 10.0 mol% doping level, the power conversion efficiency (PCE) of Sr-doped perovskite solar cells is only ∼0.5%, but the PCE of Ba-doped perovskite solar cells can be achieved to ∼9.7%. Ba-doped perovskite solar cells showed the acceptable photovoltaic characteristics than Sr-doped perovskite solar cells. Ba dopant can partially replace the amount of lead in the perovskite solar cells, and it could be a potential candidate in the field of lead-free or lead-reduced perovskite energy materials.

Structural phase transition and magnetic properties of double perovskites Ba2CaMO6 (M=W, Re, Os)

International Nuclear Information System (INIS)

Yamamura, Kazuhiro; Wakeshima, Makoto; Hinatsu, Yukio

2006-01-01

Structures and magnetic properties for double perovskites Ba 2 CaMO 6 (M=W, Re, Os) were investigated. Both Ba 2 CaReO 6 and Ba 2 CaWO 6 show structural phase transitions at low temperatures. For Ba 2 CaReO 6 , the second order transition from cubic Fm3-bar m to tetragonal I4/m has been observed near 120K. For Ba 2 CaWO 6 , the space group of the crystal structure is I4/m at 295K and the transition to monoclinic I2/m has been observed between 220K. Magnetic susceptibility measurements show that Ba 2 CaReO 6 (S=1/2) and Ba 2 CaOsO 6 (S=1) transform to an antiferromagnetic state below 15.4 and 51K, respectively. Anomalies corresponding to their structural phase transition and magnetic transition have been also observed through specific heat measurements

Synthesis and on-line ultrasonic characterisation of bulk and nanocrystalline La{sub 0.68}Sr{sub 0.32}MnO{sub 3} perovskite manganite

Energy Technology Data Exchange (ETDEWEB)

Sakthipandi, K. [Centre for Nano Science and Technology, K S Rangasamy College of Technology, Tiruchengode 637215, Tamil Nadu (India); Rajendran, V., E-mail: veerajendran@gmail.com [Centre for Nano Science and Technology, K S Rangasamy College of Technology, Tiruchengode 637215, Tamil Nadu (India); Jayakumar, T.; Raj, Baldev [Indira Gandhi Centre for Atomic Research, Kalpakkam 603102, Tamil Nadu (India); Kulandivelu, P. [Department of Mechanical Engineering, K S Rangasamy College of Technology, Tiruchengode 637215, Tamil Nadu (India)

2011-02-24

Research highlights: > The first and novel approach, the ultrasonic velocity, attenuation and elastic moduli of nanosample was measured using ultrasonic through transmission method, at a fundamental frequency of 5 MHz over wide range of temperatures. > The paper has design and fabrication of high temperature ultrasonic velocity and attenuation measurements over a wide range of temperatures 300-1200 K. - Abstract: La{sub 0.68}Sr{sub 0.32}MnO{sub 3} perovskite manganite samples were prepared using sonochemical reactor and solid state reaction technique. The ultrasonic velocity, attenuation and elastic moduli of samples were measured using ultrasonic through transmission method, at a fundamental frequency of 5 MHz over a wide range of temperatures. The temperature dependence of the ultrasonic parameters shows an interesting anomaly in all the compositions. The observed dramatic softening and hardening in sound velocities or attenuation is related to phase transitions. The linear magnetostriction effect is more dominant in the perovskite than volume magnetostriction effect which is evident from the observed anomalous in both longitudinal and shear velocities and attenuation. Further, a decrease in grain size in the sintered sample leads to a shift in the ferromagnetic transition temperature (T{sub C}) from 375 to 370 K.

Magnetic coupling at perovskite and rock-salt structured interfaces

Energy Technology Data Exchange (ETDEWEB)

Matvejeff, M., E-mail: mikko.matvejeff@picosun.com [Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, 277-8581 Chiba (Japan); Department of Chemistry, Aalto University, Kemistintie 1, 02150 Espoo (Finland); Ahvenniemi, E. [Department of Chemistry, Aalto University, Kemistintie 1, 02150 Espoo (Finland); Takahashi, R.; Lippmaa, M. [Institute for Solid State Physics, University of Tokyo, 5-1-5 Kashiwanoha, Kashiwa, 277-8581 Chiba (Japan)

2015-10-05

We study magnetic coupling between hole-doped manganite layers separated by either a perovskite or a rock-salt barrier of variable thickness. Both the type and the quality of the interface have a strong impact on the minimum critical barrier thickness where the manganite layers become magnetically decoupled. A rock-salt barrier layer only 1 unit cell (0.5 nm) thick remains insulating and is able to magnetically de-couple the electrode layers. The technique can therefore be used for developing high-performance planar oxide electronic devices such as magnetic tunnel junctions and quantum well structures that depend on magnetically and electronically sharp heterointerfaces.

Novel layered perovskite GdBaCoFeO{sub 5+{delta}} as a potential cathode for proton-conducting solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-05-15

While cobalt-containing perovskite-type cathode materials facilitate the activation of oxygen reduction, they also suffer from problems like poor chemical stability in CO{sub 2}, high thermal expansion coefficients, etc. Partial B site substitution with Fe element is expected to be able to mitigate these problems while keeping high catalyst performance. In this paper, a layered perovskite GdBaCoFeO{sub 5+{delta}} (GBCF) was developed as a cathode material for protonic ceramic membrane fuel cells (PCMFCs) based on proton-conducting electrolyte of stable BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7). The button cells of Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBCF were fabricated and tested from 600 to 700 C with humidified H{sub 2} ({proportional_to}3% H{sub 2}O) as a fuel and ambient oxygen as oxidant. An open-circuit potential of 1.002 V, maximum power density of 482 mW cm{sup -2}, and a low electrode polarization resistance of 0.11 {omega}cm{sup 2} were achieved at 700 C. The experimental results indicated that the layered perovskite GBCF is a good candidate for cathode material, while the developed Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBCF cell is a promising functional material system for intermediate temperature solid oxide fuel cells. (author)

All-perovskite transparent high mobility field effect using epitaxial BaSnO{sub 3} and LaInO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Kim, Useong; Park, Chulkwon; Kim, Young Mo; Ju, Chanjong; Park, Jisung; Char, Kookrin, E-mail: kchar@phya.snu.ac.kr [Institute of Applied Physics, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of); Ha, Taewoo; Kim, Jae Hoon [Department of Physics, Yonsei University, Seoul 120-749 (Korea, Republic of); Kim, Namwook; Yu, Jaejun [Center for Theoretical Physics, Department of Physics and Astronomy, Seoul National University, Seoul 151-747 (Korea, Republic of)

2015-03-01

We demonstrate an all-perovskite transparent heterojunction field effect transistor made of two lattice-matched perovskite oxides: BaSnO{sub 3} and LaInO{sub 3}. We have developed epitaxial LaInO{sub 3} as the gate oxide on top of BaSnO{sub 3}, which were recently reported to possess high thermal stability and electron mobility when doped with La. We measured the dielectric properties of the epitaxial LaInO{sub 3} films, such as the band gap, dielectric constant, and the dielectric breakdown field. Using the LaInO{sub 3} as a gate dielectric and the La-doped BaSnO{sub 3} as a channel layer, we fabricated field effect device structure. The field effect mobility of such device was higher than 90 cm{sup 2} V{sup −1} s{sup −1}, the on/off ratio was larger than 10{sup 7}, and the subthreshold swing was 0.65 V dec{sup −1}. We discuss the possible origins for such device performance and the future directions for further improvement.

Perovskite-Ni composite: a potential route for management of radioactive metallic waste.

Science.gov (United States)

Mahadik, Pooja Sawant; Sengupta, Pranesh; Halder, Rumu; Abraham, G; Dey, G K

2015-04-28

Management of nickel - based radioactive metallic wastes is a difficult issue. To arrest the release of hazardous material to the environment it is proposed to develop perovskite coating for the metallic wastes. Polycrystalline BaCe0.8Y0.2O3-δ perovskite with orthorhombic structure has been synthesized by sol-gel route. Crystallographic analyses show, the perovskite belong to orthorhombic Pmcn space group at room temperature, and gets converted to orthorhombic Incn space group at 623K, cubic Pm3m space group (with a=4.434Å) at 1173K and again orthorhombic Pmcn space group at room temperature after cooling. Similar observations have been made from micro-Raman study as well. Microstructural studies of BaCe0.8Y0.2O3-δ-NiO/Ni composites showed absence of any reaction product at the interface. This suggests that both the components (i.e. perovskite and NiO/Ni) of the composite are compatible to each other. Interaction of BaCe0.8Y0.2O3-δ-NiO/Ni composites with simulated barium borosilicate waste glass melt also did not reveal any reaction product at the interfaces. Importantly, uranium from the waste glass melt was found to be partitioned within BaCe0.8Y0.2O3-δ perovskite structure. It is therefore concluded that BaCe0.8Y0.2O3-δ can be considered as a good coating material for management of radioactive Ni based metallic wastes. Copyright © 2015 Elsevier B.V. All rights reserved.

Structures and magnetic properties of rare earth double perovskites containing antimony or bismuth Ba{sub 2}LnMO{sub 6} (Ln=rare earths; M=Sb, Bi)

Energy Technology Data Exchange (ETDEWEB)

Otsuka, Shumpei, E-mail: m-nis-s-o@ec.hokudai.ac.jp; Hinatsu, Yukio

2015-07-15

A series of double perovskite-type oxides Ba{sub 2}LnMO{sub 6} (Ln=lanthanides; M=Sb, Bi) were synthesized and their structures were studied. The Ln and M are structurally ordered in the rock-salt type at the B-site of the perovskite ABO{sub 3}. For Ba{sub 2}PrBiO{sub 6} and Ba{sub 2}TbBiO{sub 6}, it has been found that the disordering between Ln ion and Bi ion occurs at the B-site of the double perovskite and both the Pr (Tb) and Bi exist in two oxidation state in the same compound from the analysis of the X-ray diffraction and magnetic susceptibility data. Magnetic susceptibility measurements show that all these compounds are paramagnetic and have no magnetic ordering down to 1.8 K. - Graphical abstract: Tolerance factor for Ba{sub 2}LnMO{sub 6} (M=Sb, Bi) plotted against the ionic radius of Ln{sup 3+}. We have found that there is a clear relation between crystal structures and tolerance factors. - Highlights: • The Ln and M ions are structurally ordered in the rock-salt type at the B-site. • The disordering between Pr (Tb) ion and Bi ion occurs at the B-site. • Ba{sub 2}LnMO{sub 6} (M=Sb, Bi) have no magnetic ordering down to 1.8 K.

Chemical Substitution-Induced and Competitive Formation of 6H and 3C Perovskite Structures in Ba3-xSrxZnSb2O9: The Coexistence of Two Perovskites in 0.3 ≤ x ≤ 1.0.

Science.gov (United States)

Li, Jing; Jiang, Pengfei; Gao, Wenliang; Cong, Rihong; Yang, Tao

2017-11-20

6H and 3C perovskites are important prototype structures in materials science. We systemically studied the structural evolution induced by the Sr 2+ -to-Ba 2+ substitution to the parent 6H perovskite Ba 3 ZnSb 2 O 9 . The 6H perovskite is only stable in the narrow range of x ≤ 0.2, which attributes to the impressibility of [Sb 2 O 9 ]. The preference of 90° Sb-O-Sb connection and the strong Sb 5+ -Sb 5+ electrostatic repulsion in [Sb 2 O 9 ] are competitive factors to stabilize or destabilize the 6H structure when chemical pressure was introduced by Sr 2+ incorporation. Therefore, in the following, a wide two-phase region containing 1:2 ordered 6H-Ba 2.8 Sr 0.2 ZnSb 2 O 9 and rock-salt ordered 3C-Ba 2 SrZnSb 2 O 9 was observed (0.3 ≤ x ≤ 1.0). In the final, the successive symmetry descending was established from cubic (Fm3̅m, 1.3 ≤ x ≤ 1.8) to tetragonal (I4/m, 2.0 ≤ x ≤ 2.4), and finally to monoclinic (I2/m, 2.6 ≤ x ≤ 3.0). Here we proved that the electronic configurations of B-site cations, with either empty, partially, or fully filled d-shell, would also affect the structure stabilization, through the orientation preference of the B-O covalent bonding. Our investigation gives a deeper understanding of the factors to the competitive formation of perovskite structures, facilitating the fine manipulation on their physical properties.

Synthesis, Single Crystal Growth, and Properties of Cobalt Deficient Double Perovskite EuBaCo2−xO6−δ (x = 0–0.1

Directory of Open Access Journals (Sweden)

S. V. Telegin

2017-01-01

Full Text Available The cobalt deficient double perovskites EuBaCo2−xO6−δ with x=0–0.1 were obtained both as powders and as single crystal. Formation of cobalt vacancies in their crystal lattice was shown to be accompanied by the formation of oxygen ones. Chemical lattice strain caused by this cooperative disordering of cobalt and oxygen sublattices was found to be isotropic contrary to that caused by the formation of oxygen vacancies only. Cobalt deficiency was also shown to lead to lowering overall conductivity and Seebeck coefficient of EuBaCo2−xO6−δ double perovskites as a result of simultaneous decrease of charge carriers’ concentration and their mobility as well as number of sites available for electrons and holes transfer. Strong anisotropy of the overall conductivity of the single crystal double perovskites EuBaCo2−xO6−δ was found and explained on the basis of preferential location of oxygen vacancies in the rare-earth-oxygen- (REO- planes.

Anomalously large anisotropic magnetoresistance in a perovskite manganite

Science.gov (United States)

Li, Run-Wei; Wang, Huabing; Wang, Xuewen; Yu, X. Z.; Matsui, Y.; Cheng, Zhao-Hua; Shen, Bao-Gen; Plummer, E. Ward; Zhang, Jiandi

2009-01-01

The signature of correlated electron materials (CEMs) is the coupling between spin, charge, orbital and lattice resulting in exotic functionality. This complexity is directly responsible for their tunability. We demonstrate here that the broken symmetry, through cubic to orthorhombic distortion in the lattice structure in a prototype manganite single crystal, La0.69Ca0.31MnO3, leads to an anisotropic magneto-elastic response to an external field, and consequently to remarkable magneto-transport behavior. An anomalous anisotropic magnetoresistance (AMR) effect occurs close to the metal-insulator transition (MIT) in the system, showing a direct correlation with the anisotropic field-tuned MIT in the system and can be understood by means of a simple phenomenological model. A small crystalline anisotropy stimulates a “colossal” AMR near the MIT phase boundary of the system, thus revealing the intimate interplay between magneto- and electronic-crystalline couplings. PMID:19706504

Perovskite phases in the systems AO-SE/sub 2/O/sub 3/-UO/sub 2,x/ with A=alkaline earth metal and SE=rare earths, La, and Y. VII. The systems Ba/sub 2/CaUO/sub 6/-Ba/sub 2/Gd/sub 0. 67/UO/sub 6/ and Ba/sub 2/CaUO/sub 6/-Ba/sub 2/Y/sub 0. 67/UO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Seemann, I; Schittenhelm, H J [Tuebingen Univ. (F.R. Germany). Institut fuer Anorganische Chemie

1976-05-01

The ordered perovskite Ba/sub 2/CaUO/sub 6/ forms a solid solution series with Ba/sub 2/Gdsub(0.67)UO/sub 6/ and Ba/sub 2/Ysub(0.67)UO/sub 6/, respectively. The deviations from the ideal behaviour are studied by X-ray, diffuse reflectance and vibrational methods.

Perovskite phases in the systems AO-SE/sub 2/O/sub 3/-UO/sub 2,x/ with A=alkaline earth metal and SE=rare earths, La, and Y. IX. The systems Ba/sub 2/SrUO/sub 6/-Ba/sub 2/Gd/sub 0. 67/UO/sub 6/ and Ba/sub 2/SrUO/sub 6/-Ba/sub 2/Y/sub 0. 67/UO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Seemann, I [Tuebingen Univ. (F.R. Germany). Inst. fuer Anorganische Chemie I

1976-07-01

The ordered perovskite Ba/sub 2/SrUO/sub 6/ forms a solid solution series with Ba/sub 2/Gdsub(0.67)UO/sub 6/ and Ba/sub 2/Ysub(0.67)UO/sub 6/ respectively. The deviations from the ideal behaviour are studied by X-ray, diffuse reflectance and vibrational methods.

Magnetically induced electrical transport and dielectric properties of 3d transition elemental substitution at the Mn-site in Nd0.67Ba0.33MnO3 manganites

Science.gov (United States)

Sudakshina, B.; Arun, B.; Chandrasekhar, K. Devi; Yang, H. D.; Vasundhara, M.

2018-05-01

We have investigated the temperature dependence of electrical transport and dielectric properties along with magnetoresistance and magneto dielectric behavior in Nd0.67Ba0.33Mn0.9TR0.1O3 (TR= Cr, Fe, Co, Ni, Cu) manganites. All the compounds crystallized into an orthorhombic structure with Imma space group. Nd0.67Ba0.33MnO3 shows insulating to metallic behavior at intermediate temperatures, but, with the substitution of transitional elements it shows insulating in nature, down to lowest temperature measured for all the compounds. Dielectric measurement shows the intrinsic behavior of these lossy materials. A large value of magneto resistance is obtained for all the compounds and considerable amount of magneto-dielectric effect is shown for all the substituted compounds at lower temperatures.

Experimental elucidation: microscopic mechanism of resonant X-ray scattering in manganite films

CERN Document Server

Ohsumi, H; Kiyama, T

2003-01-01

Resonant X-ray scattering experiments have been performed on perovskite manganite La sub 0 sub . sub 5 Sr sub 0 sub . sub 5 MnO sub 3 thin films, which are grown on three distinct perovskite with a coherent epitaxial strain and have a forced ferro-type orbital ordering of Mn 3d orbitals. Using an interference technique, we have successfully observed the resonant X-ray scattering signal from the system having the ferro-type orbital ordering and also revealed the energy scheme of Mn 4p bands. For the forced ferro-type orbital ordering system, the present results evidence that the resonant X-ray scattering signal originates from the band structure effect due to the Jahn-Teller distortion of a MnO sub 6 octahedron, and not from the Coulomb interaction between 3d and 4p electrons. (author)

Strained superlattices and magnetic tunnel junctions based on doped manganites

International Nuclear Information System (INIS)

Yafeng Lu

2001-01-01

In the first part of this work the effect of biaxial strain on the structure and transport properties of doped manganites has been studied to explore the relevance of Jahn-Teller electron-lattice interaction for the CMR phenomenon in these materials. A series of high quality, coherently strained La 2/3 (Ca or Ba) 1/3 MnO 3 /SrTiO 3 superlattices with different modulation periods have been fabricated on (001) SrTiO 3 and NdGaO 3 substrates by laser molecular beam epitaxy. A detailed structural characterization was performed by high-angle X-ray diffraction (HAXRD) and low-angle X-ray reflectivity (LAXRR). The fabricated superlattices are very flat, show excellent structural coherence and very small mosaic spread (0.2 ∝0.03 ). The in-plane coherency strain could be varied by changing the thickness ratio of the constituent layers allowing for a systematic variation of the resulting lattice distortion of La 2/3 (Ca or Ba) 1/3 MnO 3 . By the in-plane coherency strain the out-of-plane lattice constant could be continuously adjusted by varying the relative thickness of the SrTiO 3 and La 2/3 (Ca or Ba) 1/3 MnO 3 layers: the c-axis lattice constant of La 2/3 Ba 1/3 MnO 3 was found to vary from 3.910 A to 3.975 A due to a compressive in-plane strain, whereas the c-axis constant of La 2/3 Ca 1/3 MnO 3 was found to change from 3.87 A to 3.79A due to tensile in-plane strain. The strain results in a biaxial distortion ε bi of La 2/3 (Ca or Ba) 1/3 MnO 3 that strongly affects the electrical transport properties and the magnetoresistance. Our measurements show that there is a clear correlation between ε bi and the temperature T p corresponding to the maximum in the resistivity versus temperature curves as well as the measured magnetoresistance in the two systems. In the second part of this work we have investigated the spin-dependent tunneling in trilayer structures of La 2/3 Ba 1/3 MnO 3 /SrTiO 3 /La 2/3 Ba 1/3 MnO 3 . (orig.)

Oxygen-perovskites with fourvalent rare earth metals

Energy Technology Data Exchange (ETDEWEB)

Kristen, H R

1978-01-01

The quadrivalent oxidation stage of the elements praseodymium and terbium can be easily prepared as oxides BaPrO/sub 3/ and BaTbO/sub 3/ crystallizing with the Perovskite structure. From this observation one has tried to stabilize the elements neodymium and dysprosium in the lanthanide series by including a host lattice with Perovskite structure. BaCeO/sub 3/, BaPrO/sub 3/, BaZrO/sub 3/, BaThO/sub 3/, BaTbO/sub 3/, SrCeO/sub 3/ and SrTbO/sub 3/ are used as host lattices. The preparation was carried out by simple annealing of the corresponding oxides with BaCO/sub 3/ or SrCO/sub 3/ in air at 1350/sup 0/C. X-ray and analytical characterization showed that Nd(IV) and Dy(IV) were partly taken up by a few host lattices.

Oxygen-perovskites with fourvalent rare earth metals

Energy Technology Data Exchange (ETDEWEB)

Kristen, H R

1978-01-01

The quadrivalent oxidation stage of the elements praseodymium and terbium can be easily prepared as oxides BaPrO/sub 3/ and BaTbO/sub 3/ crystallizing with the Perovskite structure. From this observation one has tried to stabilize the elements neodymium and dysprosium in the lanthanide series by including a host lattice with Perovskite structure. BaCeO/sub 3/, BaPrO/sub 3/, BaZrO/sub 3/, BaThO/sub 3/, BaTbO/sub 3/, SrCeO/sub 3/ and SrTbO/sub 3/ are used as host lattices. The preparation was carried out by simple annealing of the corresponding oxides with BaCO/sub 3/ or SrCO/sub 3/ in air at 1350/sup 0/C. X-ray and analytical characterization showed that Nd(IV) and Dy(IV) were partly taken up by a few host lattices. (orig./HBR).

Stable, easily sintered BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.16}Zn{sub 0.04}O{sub 3-{delta}} electrolyte-based protonic ceramic membrane fuel cells with Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Lin, Bin; Hu, Mingjun; Ma, Jianjun; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), 96 Jinzhai Road, Hefei, Anhui 230026 (China); Jiang, Yinzhu [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), 96 Jinzhai Road, Hefei, Anhui 230026 (China); Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom); Tao, Shanwen [Department of Chemistry, School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh EH14 4AS (United Kingdom)

2008-09-01

A stable, easily sintered perovskite oxide BaCe{sub 0.5}Zr{sub 0.3}Y{sub 0.16}Zn{sub 0.04}O{sub 3-{delta}} (BCZYZn) as an electrolyte for protonic ceramic membrane fuel cells (PCMFCs) with Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (BSZF) perovskite cathode was investigated. The BCZYZn perovskite electrolyte synthesized by a modified Pechini method exhibited higher sinterability and reached 97.4% relative density at 1200 C for 5 h in air, which is about 200 C lower than that without Zn dopant. By fabricating thin membrane BCZYZn electrolyte (about 30 {mu}m in thickness) on NiO-BCZYZn anode support, PCMFCs were assembled and tested by selecting stable BSZF perovskite cathode. An open-circuit potential of 1.00 V, a maximum power density of 236 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.17 {omega} cm{sup 2} were achieved at 700 C. This investigation indicated that proton conducting electrolyte BCZYZn with BSZF perovskite cathode is a promising material system for the next generation solid oxide fuel cells. (author)

A new oxytelluride: Perovskite and CsCl intergrowth in Ba{sub 3}Yb{sub 2}O{sub 5}Te

Energy Technology Data Exchange (ETDEWEB)

Whalen, J.B., E-mail: icatchsnook@yahoo.com [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); Specialized Crystal Processing, Inc., 400 Capital Circle SE, Suite 18227, Tallahassee, FL 32301-3839 (United States); Besara, T. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Vasquez, R.; Herrera, F. [The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Sun, J. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Ramirez, D. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); The Florida Agricultural and Mechanical University-The Florida State University (FAMU-FSU) College of Engineering, Department of Chemical and Biomedical Engineering, 2525 Pottsdamer Street, Tallahassee, FL 32310-6046 (United States); Specialized Crystal Processing, Inc., 400 Capital Circle SE, Suite 18227, Tallahassee, FL 32301-3839 (United States); Stillwell, R.L. [The National High Magnetic Field Laboratory, Condensed Matter Science Department, 1800 E. Paul Dirac Drive, Tallahassee, FL 32310 (United States); and others

2013-07-15

The new oxytelluride Ba{sub 3}Yb{sub 2}O{sub 5}Te was obtained from an alkaline earth flux. Ba{sub 3}Yb{sub 2}O{sub 5}Te crystallizes in the tetragonal space group P4/mmm (#123), with a=4.3615(3) Å and c=11.7596(11) Å, Z=1. The structure combines two distinct building blocks, a Ba{sub 2}Yb{sub 2}O{sub 5} perovskite-like double layer with square bipyramidal coordination of the ytterbium ions, and a CsCl-type BaTe layer. Short range magnetic order is apparent at below 5 K, with the magnetic behavior above this temperature dominated by crystal field effects. The structure may be considered as an analog to the Ruddlesden–Popper phases, where the NaCl-type layer has been replaced by the CsCl-type layer. The two-dimensional magnetic behavior is expected based on the highly anisotropic nature of the structure. - Graphical abstract: Optical images of Ba{sub 3}Yb{sub 2}O{sub 5}Te in transmission (left) and reflected (right) light, with atomic unit cell overlay. - Highlights: • Single crystal synthesis and characterization of a new phase, Ba{sub 3}Yb{sub 2}O{sub 5}Te. • The structure features the BaTe high pressure polymorph intergrowth. • Magnetic susceptibility measurements show short range 2 dimensional ordering. • Heat capacity measurements show a feature at the magnetic ordering temperature. • Optical reflectivity measurements show a {sup 2}F{sub 7/2}→{sup 2}F{sub 5/2} absorption at 976 nm.

Computational study of electronic, optical and thermoelectric properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites

Science.gov (United States)

Hassan, M.; Arshad, I.; Mahmood, Q.

2017-11-01

We report the structural, electronic, optical and thermoelectric (TE) properties of X3PbO (X = Ca, Sr, Ba) anti-perovskites as a function of X cations belonging to the group IIA. The computations are done by using the most recently introduced modified Becke-Johnson potential. It has been observed that the cubic lattice constant increases as the cations change from Ca to Ba, consequently, the bulk modulus reduces. The bottom of conduction band shows strong hybridization between Pb-6p, O-2p and X-s states, in contrast, valence band maxima are mainly manufactured by Pb-6p states. The anti-perovskites exhibit narrow direct band gap that show an inverse relation to the static real dielectric constants that verifies Penn’s model. In addition, the X cations induced tuning of the absorption edge in the visible and the ultraviolet energy suggest optical device applications. The computed TE parameters have been found sensitive to the X cations and have been demonstrated to be best suited for the TE devices operating at high temperatures.

Mixed valent perovskites Ba/sub 3/B/sup 3 +/Ru/sub 2/sup(4. 5+)O/sub 9/. Catalytic activity of perovskite oxides with noble metals

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S; Ehmann, A; Schaller, H U; Duerrschmidt, E; Thumm, I; Bader, H [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-10-01

The black compounds Ba/sub 3/B/sup 3 +/Ru/sub 2/O/sub 9/ crystallize with B/sup 3 +/ = La, Nd, Sm, Eu, Gd, Dy, Ho, Er, Tm, Yb, and Y in a hexagonal BaTiO/sub 3/ structure (6L, sequence (hcc)/sub 2/) with an ordered distribution (1:2 order) of B/sup 3 +/ and ruthenium (BO/sub 6/ single octahedra; Ru/sub 2/O/sub 9/ double groups). The mean oxidation state of ruthenium is about +4.5. The properties are compared with those of other isotypic stacking polytypes Ba/sub 3/B/sup 3 +/M/sub 2/sup(4.5)O/sub 9/ (M/sub 2/ = IrRu, Ir/sub 2/, PtRu) and Ba/sub 3/B/sup 2 +/M/sub 2//sup 5 +/O/sub 9/ (M = Ru, Ir). The results of activity tests concerning the efficiency of perovskite oxides with noble metals in respect of the oxidation of CO or CHsub(x) and the reduction of NOsub(x) are reported.

Thermochemical and thermophysical properties of alkaline-earth perovskites

International Nuclear Information System (INIS)

Yamanaka, Shinsuke; Kurosaki, Ken; Maekawa, Takuji; Matsuda, Tetsushi; Kobayashi, Shin-ichi; Uno, Masayoshi

2005-01-01

In order to contribute to safety evaluation of high burnup oxide fuels, we studied the thermochemical and thermophysical properties of alkaline-earth perovskites known as oxide inclusions. Polycrystalline samples of alkaline-earth perovskites, BaUO 3 , BaZrO 3 , BaCeO 3 , BaMoO 3 , SrTiO 3 , SrZrO 3 , SrCeO 3 , SrMoO 3 , SrHfO 3 and SrRuO 3 , were prepared and the thermal expansion coefficient, melting temperature, elastic moduli, Debye temperature, microhardness, heat capacity, and thermal conductivity were measured. The relationship between some physical properties was studied

Electrochemical properties of mixed conducting (La,M)(CoFe) oxide perovskites (M=3DSr, Ca, and Ba)

Energy Technology Data Exchange (ETDEWEB)

Stevenson, J.W.; Armstrong, T.R.; Bates, J.L. [and others

1996-04-01

Electrical properties and oxygen permeation properties of solid mixed-conducting electrolytes (La,M)(CoFe) oxide perovskites (M=3DSr, Ca, and Ba) have been characterized. These materials are potentially useful as passive membranes to separate high purity oxygen from air and as the cathode in a fuel cell. Dilatometric linear expansion measurements were performed as a function of temperature and oxygen partial pressure to evaluate the stability.

Perovskite structures in the formation of nano-rods in REBa2Cu3O7-δ films self-organization to perovskite structures

International Nuclear Information System (INIS)

Mukaida, Masashi; Kai, Hideki; Shingai, Yuki

2009-01-01

Cubic perovskite structure has been found to play an important role for the nano-rod formation in REBa 2 Cu 3 O 7-δ films. BaWO 4 , with a sheelite structure, and BaNb 2 O 6 , with a tungsten bronze structure, were doped into REBa 2 Cu 3 O 7-δ targets. Laser-deposited, these materials form nano-rods in REBa 2 Cu 3 O 7-δ films accompanied by Ln elements, resulting in the composition of a pseudo-cubic perovskite structure. This was confirmed by selected area electron diffraction patterns (SADP) and composition mapping using energy-dispersive X-ray spectroscopy scanning transmission electron microscope (EDS-STEM) analysis. BaWO 4 with a sheelite structure, and BaNb 2 O 6 with a tungsten bronze structure, doped into targets no longer retain their structures, but can form pseudo-cubic perovskite structures in laser-deposited REBa 2 Cu 3 O 7-δ films. The perovskite crystal structure is thought to be important for nano-rod formation in the laser deposited REBa 2 Cu 3 O 7-δ film. (author)

Impedance spectroscopy and structural properties of the perovskite-like Sn(Ba,Sr)O3 stagnate

International Nuclear Information System (INIS)

Cuervo Farfán, J.; Olaya, J.J.; Vera López, E.; Landínez Téllez, D.A.; Roa-Rojas, J.

2012-01-01

An exhaustive study of structural, electrical and transport properties on the perovskite stagnate Sn(Ba,Sr)O 3 was performed. Samples of SnBa 1-x Sr x O 3 with 0≤x≤1.00 were prepared by the solid state reaction method. The crystallographic structure was studied by X-ray diffraction experiments and Rietveld refinement using the GSAS code. Results reveal the material synthesized in a cubic structure (space group Pm3-bar m, no. 221) for 0≤x≤0.50 and in an orthorhombic (space group Pnma, no. 62) for x>0.50. The approximate grain size was found from experiments' Scanning Electron Microscopy. The electric response was studied by the Impedance Spectroscopy technique from 10.0 mHz up to 0,10 MHz. Electric polarization measurements for SnSrO 3 and SnBaO 3 were determined through curves of polarization as a function of applied electric field, which reveal the ferroelectric character of the material. From the saturation polarization the dielectric constants of materials were calculated.

Physical and chemical properties of calcium doped neodymium manganite

International Nuclear Information System (INIS)

Tikhonova, L.A.; Zhuk, P.P.; Tonoyan, A.A.; Vecher, A.A.

1991-01-01

Physical and chemical properties of calcium doped neodymium manganite were investigated. It was shown that structure of perovskite with O'-orthorhombic distortion was characteristic for solid solutions of Nd 1-x Ca x MnO 3 (x=0-0.5). Maximum of conductivity for samples with x=0.2 was determined. Inversion of conductivity from p- (x=0) to n-type (x=0.5) was observed in increase of concentration of calcium doped addition. Values of thermal expansion coefficient of studied solid solutions of Nd 1-x Ca x MnO 3 didn't depend on concentration of doped addition within the range 700 to 1200 K and were (9.9-11.3)·10 -6 K -1

High Performance Proton-Conducting Solid Oxide Fuel Cells with a Layered Perovskite GdBaCuCoO5+ x Cathode

Science.gov (United States)

Zhang, Xiaozhen; Jiang, Yuhua; Hu, Xuebing; Sun, Liangliang; Ling, Yihan

2018-03-01

Proton-conducting solid oxide fuel cell (H-SOFC) based on layered perovskite type GdBaCuCoO5+x (GBCC) cathode was fabricated with in situ drop-coating BaZr0.1Ce0.7Y0.2O3-δ (BZCY) electrolyte membrane. The influences of Cu doping into Co sites of GdBaCo2O5+ x on the electrical conductivity and conduction mechanism, thermal expansion property and electrochemical performance of cathode materials and corresponding single cell were investigated. Results show that the electrical conductivity decreased and the conduction mechanism would gradually transform to the semiconductor-like behavior. A high maximum power density of 480 mW cm-2 was obtained for the anode supported NiO-BZCY/NiO-BZCY/BZCY/GBCC single cells with wet H2 fuel at 700 °C. The corresponding polarization resistance was as low as 0.17 Ω cm2. The excellent electrochemical performance of as-prepared single cell indicates that GBCC is a good candidate of cathode materials for H-SOFCs.

Structural and dielectric studies of Ce doped BaSnO3 perovskite nanostructures

Science.gov (United States)

Angel, S. Lilly; Deepa, K.; Rajamanickam, N.; Jayakumar, K.; Ramachandran, K.

2018-04-01

Undoped and Cerium (Ce) doped BaSnO3(BSO) nanostructures were synthesized by co-precipitation method. The cubic structure and perovskite phase were confirmed by X-ray diffraction (XRD). The crystallite size of BSO is 41nm and when Ce ion concentration is increased, the crystallite sizesdecreased. The nanocube, nanocuboids and nanorods are observed from SEM analysis. The purity of the undoped and doped samples are confirmed by EDS spectrum. For larger defects, wide band gap was obtained from UV-Vis and PL spectrum. The dielectric constants are increased at low frequencies when Ce impurities are introduced in the BSO matrix at Sn site.

Perovskite phases of the system Ba/sub 2/Ysub(0. 67)Usub(1-x)Wsub(x)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Anorganische Chemie

1976-08-01

A solid solution series is formed between the polymorphic perovskites Ba/sub 2/Ysub(0.67)UO/sub 6/ and Ba/sub 2/Ysub(0.67)WO/sub 6/ (cubic: a = 8.37 A; hexagonal: a = 4x5.88 A and c = 4x7.77 A). The structure is cubic between x = 0.1 and 0.99 and for x > 0.95 hexagonal as well. Strong deviations from the ideal behaviour are detectable with spectroscopic methods. The shape of the UO/sub 6/ and WO/sub 6/ octahedrons experiences only minor changes within the series.

A-site order–disorder in the NdBaMn2O5+δ SOFC electrode material monitored in situ by neutron diffraction under hydrogen flow

KAUST Repository

Tonus, Florent

2017-05-11

The A-site disordered perovskite manganite, Nd0.5Ba0.5MnO3, has been obtained by heating the A-site-ordered and vacancy ordered layered double perovskite, NdBaMn2O5, in air at 1300 °C for 5 h. Combined transmission electron microscopy (TEM) images and neutron powder diffraction (NPD) analysis at 25 °C revealed that Nd0.5Ba0.5MnO3 has a pseudotetragonal unit cell with orthorhombic symmetry (space group Imma, √2ap × 2ap × √2ap) at 20 °C with the cell dimensions a = 5.503(1) Å, b = 7.7962(4) Å, c = 5.502(1) Å, in contrast to Pm[3 with combining macron]m or Cmcm that have been previously stated from X-ray diffraction studies. The in situ neutron diffraction study carried out on Nd0.5Ba0.5MnO3 in hydrogen flow up to T ∼ 900 °C, allows monitoring the A-site cation disorder–order structural phase transition of this representative member of potential SOFC anode materials between air sintering conditions and hydrogen working conditions. Oxygen loss from Nd0.5Ba0.5MnO3 proceeds with retention of A-site disorder until the oxygen content reaches the Nd0.5Ba0.5MnO2.5 composition at 600 °C. The phase transition to layered NdBaMn2O5 and localization of the oxygen vacancies in the Nd layer proceeds at 800 °C with retention of the oxygen content. Impedance spectroscopy measurements for the oxidized A-site ordered electrode material, NdBaMn2O6, screen printed on a Ce0.9Gd0.1O2−δ (CGO) electrolyte showed promising electrochemical performance in air at 700 °C with a polarization resistance of 1.09 Ω cm2 without any optimization.

Magnetic properties of rare earth oxides with perovskite structure

International Nuclear Information System (INIS)

Hinatsu, Yukio

2008-01-01

A perovskite composite oxide is represented by the general formula of ABO 3 . Cations at the B site characterize magnetic properties of the oxide. Many studies have been accumulated for transition metal elements at the B sites. In this report the studies of rare earth elements at the B sites are reviewed. In rare elements, tetravalent ions such as Ce 4+ , Pr 4+ and Tb 4+ can occupy the B sites with Ba and Sr ions at the A sites. Both the SrTbO 3 and BaTbO 3 have an orthorhombic structure and show the antiferromagnetic transition at about 33 K, which is originated from terbium ions coupled antiferromagnetically with the six neighboring terbium ions. A tetravalent praseodymium perovskite SrPrO 3 shows no existence of the magnetic ordering down to 2.0 K. This is in contrast to the result of isomorphous BaPrO 3 , which shows an antiferromagnetic transition at 11.5 K. A double perovskite structure is represented by the formula A 2 LnMO 6 (A=Ba, Sr, Ca; M=Ru, Ir). In a double perovskite compound Ba 2 PrRuO 6 , the Pr 3+ and Ru 5+ ions are arranged with regularity over the six-coordinate B sites. This compound transforms to an antiferromagnetic state below 117 K. Antiferromagnetic transition temperatures T N for isomorphous Sr and Ca show a clear tendency, T N (A=Ba)>T N (Sr)>T N (Ca), in the compounds with the same rare earth elements (Ln). The 6H-perovskite structure Ba 3 LnRu 2 O 9 consists of linkages between LnO 6 octahedra and Ru 2 O 9 dimers made from face-shared RuO 6 octahedra. The 6H-perovskite structure Ba 3 MRu 2 O 9 (M=Sc, Y, La, Nd-Gd, Dy-Lu) have the valence state of Ba 3 M 3+ Ru 2 4.5+ O 9 . The magnetic susceptibilities show a broad maximum at 135-370 K. This magnetic behavior is ascribed to the antiferromagnetic coupling between two Ru ions in a Ru 2 O 9 dimer and to the magnetic interaction between the Ru 2 O 9 dimers. (author)

On the novel double perovskites A2Fe(Mn0.5W0.5)O6 (A= Ca, Sr, Ba). Structural evolution and magnetism from neutron diffraction data

Science.gov (United States)

García-Ramos, Crisanto A.; Larrégola, Sebastián; Retuerto, María; Fernández-Díaz, María Teresa; Krezhov, Kiril; Alonso, José Antonio

2018-06-01

New A2Fe(Mn0.5W0.5)O6 (A = Ca, Sr, Ba) double perovskite oxides have been prepared by ceramic techniques. X-ray diffraction (XRD) complemented with neutron powder diffraction (NPD) indicate a structural evolution from monoclinic (space group P21/n) for A = Ca to cubic (Fm-3m) for A = Sr and finally to hexagonal (P63/mmc) for A = Ba as the perovskite tolerance factor increases with the A2+ ionic size. The three oxides present different tilting schemes of the FeO6 and (Mn,W)O6 octahedra. NPD data also show evidence in all cases of a considerable anti-site disordering, involving the partial occupancy of Fe positions by Mn atoms, and vice-versa. Magnetic susceptibility data show magnetic transitions below 50 K characterized by a strong irreversibility between ZFC and FC susceptibility curves. The A = Ca perovskite shows a G-type magnetic structure, with weak ordered magnetic moments due to the mentioned antisite disordering. Interesting magnetostrictive effects are observed for the Sr perovskite below 10 K.

modified BiFeO3–BaTiO3

Indian Academy of Sciences (India)

based perovskite structures lead- free BiFeO3–BaTiO3 solid solutions are popularly studied due to the high Curie temperature (TC). It was reported that the BiFeO3–BaTiO3 system possessed high piezoelectric. ∗. Author for correspondence ...

Perovskite BaBiO3 Transformed Layered BaBiO2.5 Crystals Featuring Unusual Chemical Bonding and Luminescence.

Science.gov (United States)

Li, Hong; Zhao, Qing; Liu, Bo-Mei; Zhang, Jun-Ying; Li, Zhi-Yong; Guo, Shao-Qiang; Ma, Ju-Ping; Kuroiwa, Yoshihiro; Moriyoshi, Chikako; Zheng, Li-Rong; Sun, Hong-Tao

2018-04-14

Engineering oxygen coordination environments of cations in oxides has received intense interest thanks to the opportunities for the discovery of novel oxides with unusual properties. Here we present the successful synthesis of stoichiometric layered BaBiO2.5 enabled by a non-topotactic phase transformation of perovskite BaBiO3. By analysing the synchrotron X-ray diffraction data using the maximum entropy method/Rietveld technique, we find that Bi forms unusual chemical bondings with four oxygen atoms, featuring one ionic bonding and three covalent bondings that results in an asymmetric coordination geometry. A broad range of photophysical characterizations reveal that this peculiar structure shows near-infrared luminescence differing from conventional Bi-bearing systems. Experimental and theoretical results lead us to propose the excitonic nature of luminescence. Our work highlights that synthesizing materials with uncommon Bi-O bonding and Bi coordination geometry provides a pathway to the discovery of systems with new functionalities. We envisage that this work could inspire interest for the exploration of a range of materials containing heavier p-block elements, offering prospects for the finding of systems with unusual properties. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Rietveld refinement and dielectric relaxation of a new rare earth based double perovskite oxide: BaPrCoNbO{sub 6}

Energy Technology Data Exchange (ETDEWEB)

Bharti, Chandrahas, E-mail: bharti.chandrahas@gmail.com [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Das, Mrinmoy K.; Sen, A. [Sensor and Actuator Division, CSIR-Central Glass and Ceramic Research Institute, 196, Raja SC Mullick Road, Kolkata 700032 (India); Chanda, Sadhan; Sinha, T.P. [Department of Physics, Bose Institute, 93/1, Acharya Prafulla Chandra Road, Kolkata-700009 (India)

2014-02-15

A new rare earth based double perovskite oxide barium praseodymium cobalt niobate, BaPrCoNbO{sub 6} (BPCN) is synthesized by solid-state reaction technique. Rietveld analysis of X-ray diffraction (XRD) data shows that the compound crystallizes in a perovskite like tetragonal structure which belongs to the I4/mmm space group with lattice parameters a=b=5.6828(9) Å, c=8.063(2) Å. Structural analysis reveals 1:1 ordered arrangement for the Co{sup 2+} and Nb{sup 5+} cations over the six-coordinate B-sites of BPCN. The superlattice line (1 0 1) at 2θ=19.10° arising from the alternate ordering of Co{sup 2+} and Nb{sup 5+} sites is observed in the XRD pattern which confirms the presence of cation ordering in BPCN. Fourier transform infrared spectrum shows two phonon modes of the sample due to the antisymmetric NbO{sub 6} stretching vibration. The relaxation dynamics of the conductive process in BPCN is investigated in the temperature range 303 to 503 K and in the frequency range 100 Hz to 1 MHz using impedance spectroscopy. The relaxation mechanism of the sample in the framework of electric modulus formalism is modeled by Davidson–Cole model (DCM). The values of α (distribution of relaxation time) for the DCM varies from 0.1 to 0.3 which suggests the asymmetric distribution of relaxation time for BPCN. The activation energy of the sample, calculated from both conductivity and modulus spectra, are found to be almost the same ∼0.4 eV, which indicates that the conduction mechanism for BPCN is polaron hopping. The scaling behaviour of the imaginary part of electric modulus suggests that the relaxation follows the same mechanism at various temperatures. - Graphical abstract: Rietveld refinement plot for BPCN. Inset shows the schematic presentation of the BPCN tetragonal unit cell. The Co{sup 2+} atoms are located at the centers of the CoO{sub 6} (blue) octahedra. The Nb{sup 5+} atoms are located at the centers of the NbO{sub 6} (green) octahedra. Display Omitted

Thermoelastic and structural properties of ionically conducting cerate perovskites: (I) BaCeO3 at low temperature in the Pbnm phase

DEFF Research Database (Denmark)

Knight, Kevin S.; Bonanos, Nikolaos

2013-01-01

The thermoelastic and structural properties of BaCeO3 perovskite in the Pbnm phase field have been studied using high resolution neutron diffractometry at 37 temperatures between 2 K and 350 K. From a simultaneous fit of the isochoric heat capacity and unit cell volume, the vibrational density of...

Thermal expansion behaviour in the oxygen deficient perovskites Sr2BSbO5.5 (B=Ca, Sr, Ba). Competing effects of water and oxygen ordering

International Nuclear Information System (INIS)

Zhou Qingdi; Kennedy, Brendan J.; Avdeev, Maxim

2011-01-01

Neutron diffractions studies reveal the presence of oxygen disorder in the oxygen deficient perovskites Sr 2 BSbO 5.5 (B=Ca, Sr, Ba). Synchrotron X-ray studies demonstrate that these oxides have a double perovskite-type structure with the cell size increasing as the size of the B cation increases from 8.2114(2) A for B=Ca to 8.4408(1) A for B=Ba. It is postulated that a combination of local clustering of the anions and vacancies together with water-water and water-host hydrogen bonds plays a role in defining the volume of the encapsulated water clusters and that changes in the local structure upon heating result in anomalous thermal expansion observed in variable temperature diffraction measurements. - Graphical abstract: The oxides Sr 2 BSbO 5.5 (B=Ca, Sr, Ba) have unusual anion disorder. There is a lag in the contraction in the cell size of Sr 2 CaSbO 5.5 nH 2 O established from X-ray diffraction measurements following the loss of water suggesting changes on the local structure are important. Highlights: → The average structures of the defect perovskites Sr 2 MSbO 5.5 established. → Anion and cation disorder quantified by neutron and synchrotron X-ray diffraction. → Anomalous thermal expansion due to local clustering of anions and vacancies observed.

Band-gap engineering of functional perovskites through quantum confinement and tunneling

DEFF Research Database (Denmark)

Castelli, Ivano Eligio; Pandey, Mohnish; Thygesen, Kristian Sommer

2015-01-01

An optimal band gap that allows for a high solar-to-fuel energy conversion efficiency is one of the key factors to achieve sustainability. We investigate computationally the band gaps and optical spectra of functional perovskites composed of layers of the two cubic perovskite semiconductors BaSnO3...... and BaTaO2N. Starting from an indirect gap of around 3.3 eV for BaSnO3 and a direct gap of 1.8 eV for BaTaO2N, different layerings can be used to design a direct gap of the functional perovskite between 2.3 and 1.2 eV. The variations of the band gap can be understood in terms of quantum confinement...

An electron diffraction and bond valence sum study of the space group symmetries and structures of the photocatalytic 1:1 ordered A2InNbO6 double perovskites (A=Ca2+, Sr2+, Ba2+)

International Nuclear Information System (INIS)

Ting, V.; Liu, Y.; Withers, R.L.; Krausz, E.

2004-01-01

A careful investigation has been carried out into the space group symmetries, structures and crystal chemistries of the 1:1 B-site ordered double perovskites A 2 InNbO 6 (A=Ca 2+ , Sr 2+ , Ba 2+ ) using a combination of bond valence sum calculations, powder XRD and electron diffraction. A recent investigation of these compounds by Yin et al. reported a random distribution of In 3+ and Nb 5+ ions onto the perovskite B-site positions of these compounds and hence Pm3-barm (a=a p , subscript p for parent perovskite sub-structure) space group symmetry for the A=Ba and Sr compounds and Pnma (a=a p +b p , b=-a p +b p , c=2c p ) space group symmetry for the A=Ca compound. A careful electron diffraction study, however, shows that both the A=Ca and Sr compounds occur at room temperature in P12 1 /n1 (a=a p +b p , b=-a p +b p , c=2c p ) perovskite-related superstructure phases while the A=Ba compound occurs in the Fm3-barm, a=2a p , elpasolite structure type. Bond valence sum calculations are used to explain why this should be so as well as to provide a useful first-order approximation to the structures of each of the compounds

Is the ground state of 5d4 double-perovskite Iridate Ba2YIrO6 magnetic or nonmagnetic?

Science.gov (United States)

Gong, Hoshin; Kim, Kyoo; Kim, Beom Hyun; Kim, Bongjae; Kim, Junwon; Min, B. I.

2018-05-01

We have investigated electronic structures and magnetic properties of double perovskite Iridate Ba2YIrO6 with 5d4 configuration, employing the exact diagonalization method for multi-site clusters. We have considered a many-body Hamiltonian for all d states (eg and t2g) including all relevant physical parameters such as the Coulomb correlation, spin-orbit coupling, crystal-field effect, and Hund coupling. We have found that the ground state of Ba2YIrO6 is nonmagnetic and that the Hund coupling plays an important role in the magnetic properties of the 5d4 systems, unlike the well-studied 5d5 systems.

Impedance spectroscopy and structural properties of the perovskite-like Sn(Ba,Sr)O{sub 3} stagnate

Energy Technology Data Exchange (ETDEWEB)

Cuervo Farfan, J. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 5997, Bogota DC (Colombia); Ciencias Basicas, Universidad Manuela Beltran, Bogota DC (Colombia); Olaya, J.J. [Departamento de Ingenieria Mecanica y Mecatronica, Universidad Nacional de Colombia, Bogota DC (Colombia); Vera Lopez, E. [Grupo de Superficies, Electroquimica y Corrosion, Universidad Pedagogica y Tecnologica de Colombia, Tunja (Colombia); Landinez Tellez, D.A. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 5997, Bogota DC (Colombia); Roa-Rojas, J., E-mail: jroar@unal.edu.co [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, AA 5997, Bogota DC (Colombia)

2012-08-15

An exhaustive study of structural, electrical and transport properties on the perovskite stagnate Sn(Ba,Sr)O{sub 3} was performed. Samples of SnBa{sub 1-x}Sr{sub x}O{sub 3} with 0{<=}x{<=}1.00 were prepared by the solid state reaction method. The crystallographic structure was studied by X-ray diffraction experiments and Rietveld refinement using the GSAS code. Results reveal the material synthesized in a cubic structure (space group Pm3-bar m, no. 221) for 0{<=}x{<=}0.50 and in an orthorhombic (space group Pnma, no. 62) for x>0.50. The approximate grain size was found from experiments' Scanning Electron Microscopy. The electric response was studied by the Impedance Spectroscopy technique from 10.0 mHz up to 0,10 MHz. Electric polarization measurements for SnSrO{sub 3} and SnBaO{sub 3} were determined through curves of polarization as a function of applied electric field, which reveal the ferroelectric character of the material. From the saturation polarization the dielectric constants of materials were calculated.

Impact of A cation size of double perovskite A2AlTaO6 (A = Ca, Sr, Ba) on dielectric and catalytic properties

International Nuclear Information System (INIS)

Gorodea, I.; Goanta, M.; Toma, M.

2015-01-01

Highlights: • Synthesis by solid state reaction of the double perovskite A 2 AlTaO 6 , where A = Ca, Sr and Ba. • The role of different A-site cations on their synthesis and structures was investigated. • The influence of the divalent A-site cations on the dielectric properties was evaluated by resistivity measurements. • Catalytic properties were evaluated in water splitting process, under gamma-rays irradiation emitted by a 60 Co source, for the first time. - Abstract: Double perovskite-type oxide A 2 AlTaO 6 materials, where A = Ca, Sr and Ba, were prepared using conventional solid state reaction. The role of different A-site cations on their synthesis, structures, dielectric and catalytic properties was investigated. Double perovskite oxide structures were evaluated using X-ray diffraction (XRD). As the average cation size decreases, the crystallographic structure at room temperature evolves from cubic to monoclinic. The influence of the nature of the divalent A-site cations on the dielectric properties was evaluated by resistivity measurements in the frequency range of 10–10 6 Hz. It can be found that relative permittivity and dielectric loss regularly changed with A cation size. Catalytic properties of the obtained compounds were evaluated in water splitting process, under gamma-rays irradiation emitted by a 60 Co source for the first time. From experimental data it was noticed that the double perovskite Ca 2 AlTaO 6 had a higher catalytic effect

System Ba/sub 2/Gdsub(2/3)vacantsub(1/3)Usub(1-x)Wsub(x)O/sub 6/ and hexagonal perovskites of an 18-layer type

Energy Technology Data Exchange (ETDEWEB)

Wischert, W; Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1978-04-01

In the system Ba/sub 2/Gdsub(2/3)vacantsub(1/3)Usub(1-x)Wsub(x)O/sub 6/ the formation of a continuous solid solution series is observed. With x <= 0.9 the mixed crystals have a cubic 1:1 ordered perovskite structure. With x >= 0.95 the compounds are polymorphic: besides an cubic 1:1 ordered perovskite type for x = 0.95; 0.99 and 1.00 one hexagonal layer structure exists. This lattice is in all cases rhombohedral (space group R3m) and represents an 18 L-type. Likewise the compounds Ba/sub 2/Bsub(2/3)sup(III)vacantsub(1/3)Wsup(VI)O/sub 6/ with Bsup(III) Tb-Lu and Y belong to the 18 L-type.

Grain-boundary effects on the magnetoresistance properties of perovskite manganite films

International Nuclear Information System (INIS)

Gupta, A.; Gong, G.Q.; Xiao, G.; Duncombe, P.R.; Lecoeur, P.; Trouilloud, P.; Wang, Y.Y.; Dravid, V.P.; Sun, J.Z.

1996-01-01

The role of grain boundaries in the magnetoresistance (MR) properties of the manganites has been investigated by comparing the properties of epitaxial and polycrystalline films of La 0.67 D 0.33 MnO 3-δ (D=Ca,Sr, or vacancies). While the MR in the epitaxial films is strongly peaked near the ferromagnetic transition temperature and is very small at low temperatures, the polycrystalline films show large MR over a wide temperature range down to 5 K. The results are explained in terms of switching of magnetic domains in the grains and disorder-induced canting of Mn spins in the grain-boundary region. copyright 1996 The American Physical Society

High field-effect mobility at the (Sr,Ba)SnO{sub 3}/BaSnO{sub 3} interface

Energy Technology Data Exchange (ETDEWEB)

Fujiwara, Kohei, E-mail: kfujiwara@imr.tohoku.ac.jp; Nishihara, Kazuki; Shiogai, Junichi; Tsukazaki, Atsushi [Institute for Materials Research, Tohoku University, Sendai 980-8577 (Japan)

2016-08-15

A perovskite oxide, BaSnO{sub 3}, has been classified as one of transparent conducting materials with high electron mobility, and its application for field-effect transistors has been the focus of recent research. Here we report transistor operation in BaSnO{sub 3}-based heterostructures with atomically smooth surfaces, fabricated on SrTiO{sub 3} substrates by the (Sr,Ba)SnO{sub 3} buffer technique. Indeed, modulation of band profiles at the channel interfaces with the insertion of wide bandgap (Sr,Ba)SnO{sub 3} as a barrier layer results in a significant improvement of field-effect mobility, implying effective carrier doping at the regulated heterointerface. These results provide an important step towards realization of high-performance BaSnO{sub 3}-based field-effect transistors.

Spin glass properties of Y0.7Ca0.3MnO3 and Th0.35Ba0.37Ca0.28MnO3

Science.gov (United States)

Sedmidubský, D.; Hejtmánek, J.; Maryško, M.; Jirák, Z.; Hardy, V.; Martin, C.

2002-05-01

Two perovskite manganites with the same nominal concentration of Mn4+ have been studied by the magnetic susceptibility and specific heat measurements: the Y0.7Ca0.3MnO3 single crystal (YCa) with low tolerance factor and negligible ionic radii variance and the Th0.35Ba0.37Ca0.28MnO3 (ThBaCa) ceramics with favorable tolerance factor but huge substitution induced disorder. Both systems were found to possess an insulating ground state with activated conductivity. The ac susceptibility data exhibit a frequency dependent peak at Tsg=32 K for YCa and Tsg=43 K for ThBaCa. The Cole-Cole analysis revealed a sharper than exponential increase of the relaxation time for the former sample while almost linear slowly growing characteristics below Tsg were observed for the latter one. Using the heat capacity curves, the magnetic contribution was separated and magnetic peaks with typical linear on-set tails were obtained. This observation and the abovementioned characteristics are all indicative of spin or cluster glass character. The necessary magnetic frustration is here induced by a considerable tilting of MnO6 octahedra and deformation of Mn-O bonds which occur in a cooperative manner for YCa and locally for ThBaCa.

Phase equilibria in the BaUO3-BaZrO3-BaMoO3 system

International Nuclear Information System (INIS)

Kurosaki, Ken; Yamanaka, Shinsuke; Matsuda, Tetsushi; Uno, Masayoshi; Yamamoto, Kazuya; Namekawa, Takashi

2002-01-01

The phase equilibria in the pseudo-ternary BaUO 3 -BaZrO 3 -BaMoO 3 system were studied to understand the thermochemical properties of the perovskite type gray oxide phase in high burnup MOX fuel. Thermodynamic equilibrium calculation for the system was performed by using a Chem Sage program under the various oxygen potentials. Solid solutions existing in the system were treated by an ideal solution model. The present calculation results well agreed with the previous reported post irradiation examination results, showing that BaMoO 3 was scarcely included in the gray oxide phase. (author)

Structural and magnetic properties of double-perovskite Ba2MnMoO6 by density functional theory

International Nuclear Information System (INIS)

Cardona, R.; Landinez Tellez, D.A.; Arbey Rodriguez M, J.; Fajardo, F.; Roa-Rojas, J.

2008-01-01

Perovskite-like materials which include magnetic elements have relevance due to the technological perspectives in the spintronics industry. In this work, we report the studies of Ba 2 MnMoO 6 material by using the density functional theory. The interchange-correlation potential was included through the generalized gradient approximation. Our structural calculations are in agreement with the experimental results which show that the material crystallizes in the 225 space group (Fm3-bar m) and has a lattice parameter of about 8070 A. The density of states study was carried out by considering the up and down spin orientations. Results show that Ba 2 MnMoO 6 has a conductor behavior due to dominant Mn spin-up and Mo spin-down contributions. The magnetic moment was calculated to be 2.9 μ B

High performance protonic ceramic membrane fuel cells (PCMFCs) with Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Lin, Bin; Liu, Xingqin; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), No. 96 Jinzhai Road, Hefei 230026 (China)

2008-09-15

Protonic ceramic membrane fuel cells (PCMFCs) based on proton-conducting electrolytes have attracted much attention because of many advantages, such as low activation energy and high energy efficiency. BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7) electrolyte based PCMFCs with stable Ba{sub 0.5}Sr{sub 0.5}Zn{sub 0.2}Fe{sub 0.8}O{sub 3-{delta}} (BSZF) perovskite cathode were investigated. Using thin membrane BZCY7 electrolyte (about 15 {mu}m in thickness) synthesized by a modified Pechini method on NiO-BZCY7 anode support, PCMFCs were assembled and tested by selecting stable BSZF perovskite cathode. An open-circuit potential of 1.015 V, a maximum power density of 486 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.08 {omega} cm{sup 2} was achieved at 700 C. The results have indicated that BZCY7 proton-conducting electrolyte with BSZF cathode is a promising material system for the next generation solid oxide fuel cells. (author)

Ab-initio study of double perovskite Ba2YSbO6

Science.gov (United States)

Mondal, Golak; Jha, D.; Himanshu, A. K.; Lahiri, J.; Singh, B. K.; Kumar, Uday; Ray, Rajyavardhan

2018-04-01

The density functional theory with generalized gradient approximation has been used to investigate the electronic structure of double perovskite oxide Ba2YSbO6 (BYS) synthesized in polycrystalline form by solid state reaction. Structural characterization of the compound was done through X-ray diffraction (XRD) followed by Riedvelt analysis of the XRD pattern. The crystal structure is cubic, space group being Fm-3m (No. 225) with the lattice parameter, a = 8.424 Å. Optical band-gap of this system has been calculated using UV-Vis Spectroscopy and Kubelka-Munk (KM) function, having the value 4.56eV. A detailed study of the electronic properties has also been carried out using the Full-Potential Linear Augmented Plane Wave (FPLAPW) as implemented in WIEN2k. BYS is found to be a large band-gap insulator with potential technological applications, such as dielectric resonators and filters in microwave applications.

Perovskites Ba/sub 2/Bsub(1/2)sup(I)Bsub(1/2)sup(III)Tesup(VI)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Roller, H; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-07-01

Compounds of composition Ba/sub 2/Bsub(1/2)sup(I)Bsub(1/2)sup(III)Tesup(VI)O/sub 6/ with Bsup(I) = Li, Na; Bsup(III) = La, Pr, Nd, Sm, Eu, Gd, Tb, Ho, Yb, Y, In, Sc crystallize in a cubic 1:1 ordered perovskite structure. The vibrational spectroscopic investigations show, that more species of TeO/sub 6/ octahedra are present in the lattice.

Shell model for BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions

Science.gov (United States)

Vielma, J.; Jackson, D.; Roundy, D.; Schneider, G.

2010-03-01

Even though the composition of BaTiO3-Bi(Zn1/2Ti1/2)O3 perovskite solid solutions is similar to other ferroelectric compounds, the dielectric response is unusual. Results of permittivity measurements as a function of temperature show a diffuse phase transition indicative of a weakly coupled relaxor behavior.footnotetextC. C. Huang and D. P. Cann, J. Appl. Phys. 104, 024117 (2008) To investigate the weakly coupled relaxor behavior in these materials at intermediate length scales we are developing a newly calibrated shell model based on first-principles supercell calculations of both the solid solution and its compositional endpoints. Initial results for its phase diagram will presented.

Layered perovskite PrBa0.5Sr0.5CoCuO5+δ as a cathode for intermediate-temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Wang, Biao; Long, Guohui; Ji, Yuan; Pang, Mingjun; Meng, Xiangwei

2014-01-01

Highlights: • A single-phase layered-perovskite PrBa 0.5 Sr 0.5 CoCuO 5+δ (PBSCCu) is prepared by the EDTA–citrate complexing method. • PBSCCu cathode has a good chemical compatible with GDC electrolyte. • Partial substitution of Cu for Co can efficiently lower the thermal expansion coefficient. • Performances of PrBa 0.5 Sr 0.5 CoCuO 5+δ cathode based on Gd 0.1 Ce 0.9 O 1.95 electrolyte is reported firstly. - Abstract: Layered perovskite PrBa 0.5 Sr 0.5 CoCuO 5+δ (PBSCCo) oxide is synthesized by EDTA–citrate complexing method and investigated as a novel cathode material for intermediate-temperature solid oxide fuel cells (IT-SOFCs). X-ray diffraction results show that PBSCCo is chemical compatible with Gd 0.1 Ce 0.9 O 1.95 (GDC) electrolyte below 950 °C. The thermal expansion coefficient of PBSCCo is 17.58 × 10 −6 K −1 between 30 °C and 900 °C. The maximum electrical conductivity of PBSCCo is 483 S cm −1 at 325 °C. The polarization resistance of PBSCCo cathode on GDC electrolyte is as low as 0.06 Ω cm 2 at 800 °C. The maximum power density of the electrolyte-supported single cell with PBSCCo cathode achieves 521 mW cm −2 at 800 °C. Preliminary results indicate that PBSCCo is a potential cathode material for application in IT-SOFCs

Structures, phase transitions and microwave dielectric properties of the 6H perovskites Ba3BSb2O9, B=Mg, Ca, Sr, Ba

International Nuclear Information System (INIS)

Ling, Chris D.; Rowda, Budwy; Avdeev, Maxim; Pullar, Robert

2009-01-01

We present a complete temperature-composition phase diagram for Ba 3 BSb 2 O 9 , B=Mg, Ca, Sr, Ba, along with their electrical behavior as a function of B. These compounds have long been recognized as 6H-type perovskites, but (with the exception of B=Mg) their exact structures and properties were unknown due to their low symmetries, temperature-dependent phase transitions, and difficulties in synthesizing pure samples. The full range of possible space group symmetries is observed, from ideal hexagonal P6 3 /mmc to monoclinic C2/c to triclinic P1-bar. Direct second-order transitions between these phases are plausible according to group theory, and no evidence was seen for any further intermediate phases. The phase diagram with respect to temperature and the effective ionic radius of B is remarkably symmetrical for B=Mg, Ca, and Sr. For B=Ba, a first-order phase transition to a locally distorted phase allows a metastable hexagonal phase to persist to lower temperatures than expected before decomposing around 600 K. Electrical measurements revealed that dielectric permittivity corrected for porosity does not change significantly as a function of B and is in a good agreement with the values predicted by the Clausius-Mossotti equation. - Graphical abstract: Thermodynamic phase diagram for Ba 3 BSb 2 O 9 , B=Mg, Ca, and Sr, as a function of temperature T and effective ionic radius (IR) of the B 2+ cation

Ordered perovskites with cationic vacancies. 7. Structural investigations on Ba/sub 2/Zrsub(3/4)vacantsub(1/4)SbO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-11-01

The ochre coloured Ba/sub 2/Zrsub(3/4)vacantsub(1/4)SbO/sub 6/ belongs to the group of oxygen perovskites with an ordered distribution of the vacancies. It crystallizes tetragonal (a = 11.68/sub 5/ A; c = 16.60/sub 6/ A) with 16 formula units in the cell: Ba/sub 32/Zr/sub 12/vacant/sub 4/Sb/sub 16/O/sub 96/. For the space group P 4/mmm intensity calculations on powder data gave a refined, intensity related R' value of 4.8%. In the structure the Zr and Ba atoms are ordered (1:1 order); the four cationic vacancies are located in a face centered arrangement in the zirconium sublattice. The Ba atoms are displaced by approximately 0.20 A in direction of the neighbouring vacancy, while the other cations maintain their ideal positions.

Oxygen perovskites with tetravalent neodymium

Energy Technology Data Exchange (ETDEWEB)

Brauer, G; Kristen, H [Freiburg Univ. (Germany, F.R.)

1979-09-01

Neodymium could be stabilized by incorporating it in host-lattices with the perovskite structure. BaCeO/sub 3/, BaPrO/sub 3/, BaThO/sub 3/, and BaZrO/sub 3/ have been used for host-lattices. The samples were prepared by heating the corresponding oxides on air and at 1250-1400 /sup 0/C. X-ray diffraction and chemical analysis showed that Nd(IV) has been stabilized in different rates by these four host-lattices. BaCeO/sub 3/ is able to incorporate Nd(IV) up to 30%. BaPrO/sub 3/ up to 18%, BaThO/sub 3/ up to 17% and BaZrO/sub 3/ up to 4%.

Crystal structure and surface characteristics of Sr-doped GdBaCo2O6−δ double perovskites: oxygen evolution reaction and conductivity

KAUST Repository

Pramana, Stevin S.

2017-12-04

A cheap and direct solution towards engineering better catalysts through identification of novel materials is required for a sustainable energy system. Perovskite oxides have emerged as potential candidates to replace the less economically attractive Pt and IrO2 water splitting catalysts. In this work, excellent electrical conductivity (980 S cm−1) was found for the double perovskite of composition GdBa0.6Sr0.4Co2O6−δ which is consistent with a better oxygen evolution reaction activity with the onset polarisation of 1.51 V with respect to a reversible hydrogen electrode (RHE). GdBa1−xSrxCo2O6−δ with increasing Sr content was found to crystallise in the higher symmetry tetragonal P4/mmm space group in comparison with the undoped GdBaCo2O6−δ which is orthorhombic (Pmmm), and yields higher oxygen uptake, accompanied by higher Co oxidation states. This outstanding electrochemical performance is explained by the wider carrier bandwidth, which is a function of Co–O–Co buckling angles and Co–O bond lengths. Furthermore the higher oxygen evolution activity was observed despite the formation of non-lattice oxides (mainly hydroxide species) and enrichment of alkaline earth ions on the surface.

Crystal structure and surface characteristics of Sr-doped GdBaCo2O6−δ double perovskites: oxygen evolution reaction and conductivity

KAUST Repository

Pramana, Stevin S.; Cavallaro, Andrea; Li, Cheng; Handoko, Albertus D.; Chan, Kuang Wen; Walker, Robert J.; Regoutz, Anna; Herrin, Jason S.; Yeo, Boon Siang; Payne, David J.; Kilner, John A.; Ryan, Mary P.; Skinner, Stephen J.

2017-01-01

A cheap and direct solution towards engineering better catalysts through identification of novel materials is required for a sustainable energy system. Perovskite oxides have emerged as potential candidates to replace the less economically attractive Pt and IrO2 water splitting catalysts. In this work, excellent electrical conductivity (980 S cm−1) was found for the double perovskite of composition GdBa0.6Sr0.4Co2O6−δ which is consistent with a better oxygen evolution reaction activity with the onset polarisation of 1.51 V with respect to a reversible hydrogen electrode (RHE). GdBa1−xSrxCo2O6−δ with increasing Sr content was found to crystallise in the higher symmetry tetragonal P4/mmm space group in comparison with the undoped GdBaCo2O6−δ which is orthorhombic (Pmmm), and yields higher oxygen uptake, accompanied by higher Co oxidation states. This outstanding electrochemical performance is explained by the wider carrier bandwidth, which is a function of Co–O–Co buckling angles and Co–O bond lengths. Furthermore the higher oxygen evolution activity was observed despite the formation of non-lattice oxides (mainly hydroxide species) and enrichment of alkaline earth ions on the surface.

Structures and Phase Transitions in Ordered Double Perovskites

International Nuclear Information System (INIS)

Kennedy, Brendan; Zhou, Qingdi; Cheah, Melina

2005-01-01

Full text: The basic perovskite structure is ubiquitous in the study of metal oxides, yet very few oxides actually adopt the archetypal cubic structure. The perovskite structure is based on corner sharing octahedra and in most cases cooperative rotations of successive octahedra lower the symmetry of the perovskite structure. Solid State Chemists have been fascinated by these distortions for many years, not only for their intrinsic interest but also to understand how these distortions control the electronic and magnetic properties of perovskite oxides. In this presentation we will describe the use of high-resolution powder diffraction methods to unravel the temperature and composition dependence of the structures in two series of double perovskites, Sr 1-x A x NiWO 6 (A = Ba, Ca) where there is essentially complete ordering of Ni and W cations and in Sr 1-x Ca x CrNbO 6 where there is extensive disorder of the Cr and Nb cations. (authors)

Layered SmBaCuCoO5+δ and SmBaCuFeO5+δ perovskite oxides as cathode materials for proton-conducting SOFCs

International Nuclear Information System (INIS)

Nian Qiong; Zhao Ling; He Beibei; Lin Bin; Peng Ranran; Meng Guangyao; Liu Xingqin

2010-01-01

A dense BaCe 0.8 Sm 0.2 O 5+δ (BCS) electrolyte was fabricated on a porous anode by in situ drop-coating to develop a simple and cost-effective route to fabricate proton-conducting solid oxide fuel cells (SOFCs). Layered perovskite-structure oxides SmBaCuCoO 5+δ (SBCC) and SmBaCuFeO 5+δ (SBCF) were prepared and the electrical conductivity, the thermal expansion coefficient and electrochemical performance were investigated as potential cathode materials for proton-conducting SOFCs. Thermal expansion coefficients of SBCC and SBCF were suitable for BCS electrolyte and the electrical conductivity of the SBCC is higher than that of the SBCF. The maximum power density of 449 mW cm 2 and 333 mW cm 2 at 700 o C were obtained for the SBCC/BCS/NiO-BCS and SBCF/BCS/NiO-BCS cells, respectively. The interfacial polarization resistances for SBCC and SBCF cathode are as low as 0.137 Ω cm -2 and 0.196 Ω cm -2 at 700 o C, respectively. The results indicate that the SBCC and SBCF are promising cathode materials for proton-conducting SOFCs.

First principles study of the structural and electronic properties of double perovskite Ba2YTaO6 in cubic and tetragonal phases

International Nuclear Information System (INIS)

Deluque Toro, C.E.; Rodríguez M, Jairo Arbey; Landínez Téllez, D.A.; Moreno Salazar, N.O.; Roa-Rojas, J.

2014-01-01

The Ba 2 YTaO 6 double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba 2 YTaO 6 in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba 2 YTaO 6 (I4/m) phase is the most stable one. © 2013 Elsevier Science. All rights reserved

Current-driven channel switching and colossal positive magnetoresistance in the manganite-based structure

International Nuclear Information System (INIS)

Volkov, N V; Eremin, E V; Tsikalov, V S; Patrin, G S; Kim, P D; Seong-Cho, Yu; Kim, Dong-Hyun; Chau, Nguyen

2009-01-01

The transport and magnetotransport properties of a newly fabricated tunnel structure manganite/depletion layer/manganese silicide have been studied in the current-in-plane (CIP) geometry. A manganite depletion layer in the structure forms a potential barrier sandwiched between two conducting layers, one of manganite and the other of manganese silicide. The voltage-current characteristics of the structure are nonlinear due to switching conducting channels from an upper manganite film to a bottom, more conductive MnSi layer with an increase in the current applied to the structure. Bias current assists tunnelling of a carrier across the depletion layer; thus, a low-resistance contact between the current-carrying electrodes and the bottom layer is established. Below 30 K, both conducting layers are in the ferromagnetic state (magnetic tunnel junction), which allows control of the resistance of the tunnel junction and, consequently, switching of the conducting channels by the magnetic field. This provides a fundamentally new mechanism of magnetoresistance (MR) implementation in the magnetic layered structure with CIP geometry. MR of the structure under study depends on the bias current and can reach values greater than 400% in a magnetic field lower than 1 kOe. A positive MR value is related to peculiarities of the spin-polarized electronic structures of manganites and manganese silicides.

Hexagonal perovskites with cationic vacancies. 13. Rhombohedral 12 L-stacking polytypes Ba/sub 4/M/sub 2/sup(V)WvacantO/sub 12/ with Msup(V) = Nb, Ta

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.)

1979-10-01

The white quaternary oxides Ba/sub 4/Nb/sub 2/WvacantO/sub 12/ and Ba/sub 4/Ta/sub 2/WvacantO/sub 12/ belong to the group of hexagonal perovskites with cationic vacancies. They crystallize in the rhombohedral 12 L-type: Sequence (3)(1) = (hhcc)/sub 3/; space group R/sup -/3m (Ba/sub 4/Nb/sub 2/WvacantO/sub 12/: a = 5.77/sub 6/ A; c = 28.0/sub 55/ A; Ba/sub 4/Ta/sub 2/WvacantO/sub 12/: a = 5.77/sub 3/ A; c = 28.0/sub 75/ A; Z = 3).

Effect of mechanical milling on barium titanate (BaTiO3) perovskite

Science.gov (United States)

Singh, Rajan Kumar; Sanodia, Sagar; Jain, Neha; Kumar, Ranveer

2018-05-01

Commercial Barium Titanate BaTiO3 (BT) is milled by planetary ball mill in acetone medium using stainless steel bowl & ball for different hours. BT is an important perovskite oxide with structure ABO3. BT has applications in electro-optic devices, energy storing devices such as photovoltaic cells, thermistors, multiceramic capacitors & DRAMs etc. BT is non-toxic & environment friendly ceramic with high dielectric and piezoelectric property so it can be used as the substitute of PZT & PbTiO3. Here, we have investigated the effect of milling time and temperature on particle size and phase transition of BT powder. We used use Raman spectroscopy for studying the spectra of BT; XRD is used for structural study. Intensity (height) of Raman spectra and XRD spectra continuously decrease with increasing the milling hours and width if these spectra increases which indicates, decrease in BT size.

Hexagonal perovskites with cationic vacancies. 15. Ba/sub 9/Nb/sub 6/Wvacant/sub 2/O/sub 27/ - the first perovskite stacking polytype of rhombohedral 27 L-type

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-02-01

The perovskite stacking polytype Ba/sub 9/Nb/sub 6/sup(V)Wsup(VI)vacant/sub 2/O/sub 27/ (white) is the first representative of a rhombohedral 27 L-type. The lattice parameters (trigonal setting) are: a = 5.79/sub 3/ A; c = 63.4/sub 1/ A; Z = 3 (rhosub(exp) = 6.4/sub 6/ g/cm/sup 3/; rhosub(calc) = 6.51/sub 2/ g/cm/sup 3/). The corresponding Tasup(V)-compound is isotypic; it tends to develop stacking faults.

The Control of Anisotropic Transport in Manganites by Stripy Domains

Science.gov (United States)

Ju, Changcheng; Lu, Xiaomei; Chu, Yinghao

2014-03-01

Epitaxial thin film acts as a significant tool to investigate novel phenomena of complex oxide systems. Extrinsic constraint1 of uniform or certain designed buffer layer strain could be easily implanted to these materials. However, the strain distribution might be quite complicated by involving micro- or nano-lattice distortions which could partially relax the strain and determine the complex phase diagrams of thin film, meanwhile introducing structural and physical inhomogeneities. In this work , we report 71° striped ferroelectric domains created in BFO can also epitaxially lock the perovskite manganites leading to the emerge of ordered structural domain. LSMO/BFO hetero-epitaxial samples are deposited by PLD. The 71° periodic striped domains and coherent growth are demonstrated by PFM and X-ray analysis. Plan-view TEM and X-ray RSM have been used to confirm the epitaxial relationships of the functional layers and IP lattice constant. Both the simulation and structural analysis demonstrate we can create a periodic ordered stripe structural domain in LSMO. And this will leave an anisotropic distribution of structural domain walls which makes it possible to capture the anisotropic tunneling for strong electron-lattice coupling in manganites. Temperature-dependent resistivity measurements reveal a substantial anisotropic resistivities and a remarkable shift of the MI transition between the perpendicular and parallel to the stripe domain directions.

Giant magnetoelectric effect in pure manganite-manganite heterostructures

Energy Technology Data Exchange (ETDEWEB)

Paul, Sanjukta; Pankaj, Ravindra; Yarlagadda, Sudhakar; Majumdar, Pinaki; Littlewood, Peter B.

2017-11-01

Obtaining strong magnetoelectric couplings in bulk materials and heterostructures is an ongoing challenge. We demonstrate that manganite heterostructures of the form (Insulator) /(LaMnO3)(n)/Interface/(CaMnO3)(n)/(Insulator) show strong multiferroicity in magnetic manganites where ferroelectric polarization is realized by charges leaking from LaMnO3 to CaMnO3 due to repulsion. Here, an effective nearest-neighbor electron-electron (electron-hole) repulsion (attraction) is generated by cooperative electron-phonon interaction. Double exchange, when a particle virtually hops to its unoccupied neighboring site and back, produces magnetic polarons that polarize antiferromagnetic regions. Thus a striking giant magnetoelectric effect ensues when an external electrical field enhances the electron leakage across the interface.

Magnetoelectric effects in manganites

Science.gov (United States)

Jeen, Hyoung Jeen

Research on manganites has been conducted for more than half century. Recent discoveries of colossal responses to external fields such as colossal magnetoresistance effects and correlation among spin, orbital, and lattice in phase separated manganites and multiferroic manganites have motivated me to understand these materials. The main purpose of this dissertation is to understand magnetoelectric effects in phase separated (La1-yPr y)1-xCaxMnO3 (LPCMO) thin films and multiferroic BiMnO3 (BMO) thin films. First, high quality phase separated manganite thin films have been successfully grown. To grow the high quality manganite thin films, extensive effort was devoted to fine tuning of oxygen pressure, temperature, and laser fluence during film growth. As-grown films were characterized with various ex-situ techniques: magnetization measurements, transport measurements, x-ray diffraction, atomic force microscopy, and/or transmission electron microscopy to remove the effects of impurities and unwanted strains except substrate induced strain. Second, three major results were obtained in high quality phase separated LPCMO thin films. These results are based on the dynamic nature of phases in LPCMO. 1) LPCMO thin films showed single domain to multi-domain transition during cooling. This transition can be tuned by substrate stress induced in-plane magnetic anisotropy. 2) Evidence for the origin of colossal electroresistance (CER) effect has been observed. The CER is triggered by dielectrophoresis, or movements of ferromagnetic metallic (FMM) phase, which is manifested in anisotropic transport properties in microfabricated LPCMO cross structures. This fluidic nature of the FMM phase in LPCMO under high electric fields lead to exotic magnetoelectric effects. 3) Electric field effects on magnetotransport properties have been observed. This phenomena can also be tuned by the combined effect of substrate strain and current flow. This combined effect of electric and magnetic

Mixed valent noble metal perovskites Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4. 5+/O/sub 9/

Energy Technology Data Exchange (ETDEWEB)

Moessner, B; Kemmler-Sack, S; Ehmann, A [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-04-01

In perovskites of type Ba/sub 3/B/sup 3 +/Pt/sub x/Ru/sub 2-x//sup 4.5+/O/sub 9/ the ruthenium can be substituted by platinum up to x = 1. The compounds crystallize in a 1:2 ordered hexagonal BaTiO/sub 3/ structure (sequence (hcc)/sub 2/) with face connected Pt/sub x/Ru/sub 2-x/O/sub 9/ double octahedra. Intensity calculations on powder data of Ba/sub 3/YPt/sub 1/2/Ru/sub 3/2/O/sub 9/ (space group P6/sub 3//mmc) gave a refined, intensity related R' value of 8.6%. The vibrational spectroscopic and catalytic properties are reported.

Light-Independent Ionic Transport in Inorganic Perovskite and Ultrastable Cs-Based Perovskite Solar Cells.

Science.gov (United States)

Zhou, Wenke; Zhao, Yicheng; Zhou, Xu; Fu, Rui; Li, Qi; Zhao, Yao; Liu, Kaihui; Yu, Dapeng; Zhao, Qing

2017-09-07

Due to light-induced effects in CH 3 NH 3 -based perovskites, such as ion migration, defects formation, and halide segregation, the degradation of CH 3 NH 3 -based perovskite solar cells under maximum power point is generally implicated. Here we demonstrated that the effect of light-enhanced ion migration in CH 3 NH 3 PbI 3 can be eliminated by inorganic Cs substitution, leading to an ultrastable perovskite solar cell. Quantitatively, the ion migration barrier for CH 3 NH 3 PbI 3 is 0.62 eV under dark conditions, larger than that of CsPbI 2 Br (0.45 eV); however, it reduces to 0.07 eV for CH 3 NH 3 PbI 3 under illumination, smaller than that for CsPbI 2 Br (0.43 eV). Meanwhile, photoinduced halide segregation is also suppressed in Cs-based perovskites. Cs-based perovskite solar cells retained >99% of the initial efficiency (10.3%) after 1500 h of maximum power point tracking under AM1.5G illumination, while CH 3 NH 3 PbI 3 solar cells degraded severely after 50 h of operation. Our work reveals an uncovered mechanism for stability improvement by inorganic cation substitution in perovskite-based optoelectronic devices.

Role of grain size on magnetic properties of La0.7Sr0.3MnO3

International Nuclear Information System (INIS)

Yadav, Priyanka A.; Adhi, K.P.; Patil, S.I.; Deshmukh, Alka V.

2012-01-01

The perovskite compound has the form ABO 3 , where A site is rare earth element and B site is occupied by Mn ions. Undoped perovskite Manganites like LaMnO 3 is antiferromagnetic insulator. While divalent doped Manganites of the form R (1-x) A x MnO 3 (where R: Trivalent rare earth ion, A: divalent alkali ion) exhibit properties like insulator to metal and paramagnetic to ferromagnetic transitions, colossal magnetoresistance, charge ordered behaviour, phase separation etc. Divalent doping (e.g. Ca, Sr, Ba) causes Mn 3+ to change in Mn 4+ state far charge compensation, depending on the doping concentration. During last decade, lot of work has been carried out on single crystal and polycrystalline perovskite Manganites. But very few reports have been found on nanoparticles of hole doped Manganites. Hence to study the effect of particle size on the properties of perovskite Manganites, we have synthesized the nanosized powder of La 0.7 Sr 0.3 MnO 3 (LSMO) by using citrate-gel method. The samples are sintered from 600-1200 ° C by the step of 50° C for four hours. The size of particles was determined using X-ray diffraction and Field Emission Scanning Electron Microscopy technique. The average particle size is in the range 17-20 nm for sample prepared at 600° C. It was found that size of nanoparticles increased with increasing sintering temperature. Magnetization measurements of the sample were carried out with the help of Vibrating Sample Magnetometer (VSM) at room temperature. Saturation magnetization was found to be increased with increasing particle size giving evidence of formation of dead magnetic layer on the surface. The coercivity of nanoparticles follows the same trend as explained by Cullity. A.C. susceptibility measurements for these samples show systematic increase in magnetic transition temperature and approach the bulk value with increase in the particle size. (author)

Colossal magnetoresistance in manganites and related prototype devices

International Nuclear Information System (INIS)

Liu Yu-Kuai; Yin Yue-Wei; Li Xiao-Guang

2013-01-01

We review colossal magnetoresistance in single phase manganites, as related to the field sensitive spin-charge interactions and phase separation; the rectifying property and negative/positive magnetoresistance in manganite/Nb:SrTiO 3 p—n junctions in relation to the special interface electronic structure; magnetoelectric coupling in manganite/ferroelectric structures that takes advantage of strain, carrier density, and magnetic field sensitivity; tunneling magnetoresistance in tunnel junctions with dielectric, ferroelectric, and organic semiconductor spacers using the fully spin polarized nature of manganites; and the effect of particle size on magnetic properties in manganite nanoparticles. (topical review - magnetism, magnetic materials, and interdisciplinary research)

Crystal structure and magnetic properties of La2−x(Sr0.5Ca0.5)1+xMn2O7 (x=0.6, 0.8 and 1.0) Ruddlesden–Popper manganites

International Nuclear Information System (INIS)

Raju, K.; Song, M.S.; Lee, J.Y.

2014-01-01

Double layer perovskite (Ruddlesden–Popper) manganites with the nominal composition of La 2−x (Sr 0.5 Ca 0.5 ) 1+x Mn 2 O 7 (x=0.6, 0.8 and 1.0) were synthesized via a solid state reaction route. X-ray and neutron diffraction were performed at room temperature and the crystal structure was refined using the Rietveld method based on the space group, I4/mmm. The temperature variation of the susceptibility revealed a spin glass transition at 28 K for x=0.6, a charge ordering transition at 245 K and a Neel transition at 170 K for x=1.0. - Highlights: • Lanthanum based double layered manganites were prepared by doping with the same amounts of Sr and Ca. • X-ray and neutron diffraction were performed and the crystal structure was refined using the Rietveld method. • Different magnetic transitions were observed depending upon the doping concentration. • Qualitative explanation for the various observed phenomena was given

Perovskite phases in the systems AO-SE/sub 2/O/sub 3/-UOsub(2,x) with A = alkaline earth metal and SE = rare earths, La and Y. 10. The systems Ba/sub 2/CaUO/sub 6/-Ba/sub 2/Lusub(0. 67)UO/sub 6/ and Ba/sub 2/SrUO/sub 6/-Ba/sub 2/Lusub(0. 67)UO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Jooss, I [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1977-06-01

In the systems Ba/sub 2/Bsub(1-x)Lusub(0.67x)UO/sub 6/ with Bsup(II) = Ca, Sr at the B-rich side rhombic and at the Lu-rich side monoclinic perovskites are formed. The transition is discontinuous and accompanied by order-disorder phenomena.

Hexagonal perovskites with cationic vacancies. 19. The rhombohedral 12 L stacking polytypes Ba/sub 3/LaBsup(III) (W/sub 2/sup(VI)vacantO/sub 12/)

Energy Technology Data Exchange (ETDEWEB)

Rother, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-06-01

Hexagonal perovskites are described for the new type Ba/sub 3/LaBsup(III)(W/sub 2/sup(VI)vacantO/sub 12/) with Bsup(III) = Sc, In, Lu, Yb. According to the intensity calculations for Ba/sub 3/LaIn(W/sub 2/vacantO/sub 12/) they crystallize in a rhombohedral 12 L structure with the sequence (3)(1) respectively (hhcc)/sub 3/; space group R3m. The refined, intensity related R' value is 6.7%.

Electron diffraction and microscopy study of the structure and microstructure of the hexagonal perovskite Ba3Ti2MnO9

International Nuclear Information System (INIS)

Maunders, C.

2007-01-01

This paper reports a structural and microstructural investigation of the hexagonal perovskite Ba 3 Ti 2 MnO 9 using electron microscopy and diffraction. Convergent-beam electron diffraction (CBED) revealed the structure has the noncentrosymmetric space group P6 3 mc (186) at room temperature and at ∝ 110 K. Compared with the centrosymmetric parent structure BaTiO 3 , with space group P6 3 /mmc, this represents a break in mirror symmetry normal to the c axis. This implies the Ti and Mn atoms are ordered on alternate octahedral sites along the left angle 0001 right angle direction in Ba 3 Ti 2 MnO 9 . Using high-resolution electron microscopy (HREM), we observed occasional 6H/12R interfaces on (0001) planes, however, no antiphase boundaries were observed, as were seen in Ba 3 Ti 2 RuO 9 . Using powder X-ray Rietveld refinement we have measured the lattice parameters from polycrystalline samples to be a=5.6880±0.0005, c=13.9223±0.0015 Aa at room temperature. (orig.)

Structure and Electrical-Transport Relations in Ba(Zr,Pr)O3-δ Perovskites.

Science.gov (United States)

Antunes, Isabel; Amador, Ulises; Alves, Adriana; Correia, Maria Rosário; Ritter, Clemens; Frade, Jorge Ribeiro; Pérez-Coll, Domingo; Mather, Glenn C; Fagg, Duncan Paul

2017-08-07

Members of the perovskite solid solution BaZr 1-x Pr x O 3-δ (0.2 ≤ x ≤ 0.8) with potential high-temperature electrochemical applications were synthesized via mechanical activation and high-temperature annealing at 1250 °C. Structural properties were examined by Rietveld analysis of neutron powder diffraction and Raman spectroscopy at room temperature, indicating rhombohedral symmetry (space group R3̅c) for members x = 0.2 and 0.4 and orthorhombic symmetry (Imma) for x = 0.6 and 0.8. The sequence of phase transitions for the complete solid solution from BaZrO 3 to BaPrO 3 is Pm3̅m → R3̅c → Imma → Pnma. The structural data indicate that Pr principally exists as Pr 4+ on the B site and that oxygen content increases with higher Pr content. Electrical-conductivity measurements in the temperature range of 250-900 °C in dry and humidified (pH 2 O ≈ 0.03 atm) N 2 and O 2 atmospheres revealed an increase of total conductivity by over 2 orders of magnitude in dry conditions from x = 0.2 to x = 0.8 (σ ≈ 0.08 S cm -1 at 920 °C in dry O 2 for x = 0.8). The conductivity for Pr contents x > 0.2 is attributable to positively charged electronic carriers, whereas for x = 0.2 transport in dry conditions is n-type. The change in conduction mechanism with composition is proposed to arise from the compensation regime for minor amounts of BaO loss changing from predominantly partitioning of Pr on the A site to vacancy formation with increasing Pr content. Conductivity is lower in wet conditions for x > 0.2 indicating that the positive defects are, to a large extent, charge compensated by less mobile protonic species. In contrast, the transport mechanism of the Zr-rich composition (x = 0.2), with much lower electronic conductivity, is essentially independent of moisture content.

Colossal Magnetoresistance Manganites and Related Prototype Devices

OpenAIRE

Liu, Yukuai; Yin, Yuewei; Li, Xiaoguang

2013-01-01

We review colossal magnetoresistance in single phase manganites, as related to the field sensitive spin charge interactions and phase separation; the rectifying property and negative/positive magnetoresistance in manganite/Nb:SrTiO3 pn junctions in relation to the special interface electronic structure; magnetoelectric coupling in manganite/ferroelectric structures that takes advantage of strain, carrier density, and magnetic field sensitivity; tunneling magnetoresistance in tunnel junctions ...

Phase stability study of Bi0.15Sr0.85-xAexCoO3-δ (x = 0 and Ae = Ba0.28; Ca0.17) perovskites by in-situ neutron diffraction

International Nuclear Information System (INIS)

Eriksson, A.K.; Eriksson, S.G.; Chapon, L.C.; Knee, C.S.

2010-01-01

The oxygen deficient perovskites, Bi 0.15 Sr 0.85-x Ae x CoO 3-δ , x = 0 and Ae x = Ba 0.28 , Ca 0.17 , were studied with in-situ neutron powder diffraction and combined TGA/DSC in order to investigate their behaviour at elevated temperatures in oxidising conditions. The phase stability of the I4/mmm supercell structure adopted by Bi 0.15 Sr 0.85 CoO 3-δ is shown to be dependent on temperature and the oxygen content of the phase, with three structural events, at T ∼ 250, 590 and 880 o C, detected. The first transition occurs as the perovskite supercell vanishes due to oxygen absorption; the second transition is also associated with oxidation and involves the decomposition of the perovskite phase via an exothermic process to yield a dominant hexagonal phase. Finally, at T ∼ 900 o C the perovskite phase re-forms. For the Ba and Ca containing materials the decomposition to the hexagonal phase occurs at T ∼ 600 o C and ∼ 650 o C respectively. The presence of Ca at the A-site is found to stabilise the I4/mmm supercell structure in the range RT - 650 o C. The antiferromagnetic to paramagnetic transitions occur at T N ∼ 250 o C, T N ∼ 175 o C and T N ∼ 145 o C for the samples with Ae x = Ba 0.28 , x = 0 and Ae x = Ca 0.17 , respectively.

Phonon model of perovskite thermal capacity

International Nuclear Information System (INIS)

Kesler, Ya.A.; Poloznikova, M.Eh.; Petrov, K.I.

1983-01-01

A model for calculating the temperature curve of thermal capacity of perovskite family crystals on the basis of vibrational spectra is proposed. Different representatives of the perovskite family: cubic SrTiO 3 , tetragonal BaTiO 3 and orthorbombic CaTiO 3 and LaCrO 3 are considered. The total frequency set is used in thermal capacity calcUlations. Comparison of the thermal capacity values of compounds calculated on the basis of the proposed model with the experimental values shows their good agreement. The method is also recommended for other compounds with the perovskite-like structure

Invariant exchange perturbation theory for multicenter systems and its application to the calculation of magnetic chains in manganites

International Nuclear Information System (INIS)

Orlenko, E. V.; Ershova, E. V.; Orlenko, F. E.

2013-01-01

The formalism of exchange perturbation theory is presented with regard to the general principles of constructing an antisymmetric vector with the use of the Young diagrams and tableaux in which the coordinate and spin parts are not separated. The form of the energy and wave function corrections coincides with earlier obtained expressions, which are reduced in the present paper to a simpler form of a symmetry-adapted perturbation operator, which preserves all intercenter exchange contributions. The exchange perturbation theory (EPT) formalism itself is presented in the standard form of invariant perturbation theory that takes into account intercenter electron permutations between overlapping nonorthogonal states. As an example of application of the formalism of invariant perturbation theory, we consider the magnetic properties of perovskite manganites La 1/3 Ca 2/3 MnO 3 that are associated with the charge and spin ordering in magnetic chains of manganese. We try to interpret the experimental results obtained from the study of the effect of doping the above alloys by the model of superexchange interaction in manganite chains that is constructed on the basis of the exchange perturbation theory (EPT) formalism. The model proposed makes it possible to carry out a quantitative analysis of the effect of substitution of manganese atoms by doping elements with different electron configurations on the electronic structure and short-range order in a magnetic chain of manganites

Investigation on structural, magneto-transport, magnetic and thermal properties of La{sub 0.8}Ca{sub 0.2−x}Ba{sub x}MnO{sub 3} (0 ⩽ x ⩽ 0.2) manganites

Energy Technology Data Exchange (ETDEWEB)

Manjunatha, S.O. [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Rao, Ashok, E-mail: ashokanu_rao@rediffmail.com [Department of Physics, Manipal Institute of Technology, Manipal University, Manipal 576104 (India); Subhashini [Material Processing Laboratory, Department of Physics, National Institute of Technology Karnataka, Surathkal 575025 (India); Okram, G.S. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452 001, MP (India)

2015-08-15

Highlights: • Ba-doped compounds follow small polaron hopping model in high temperature range. • Ba-doping introduces structural phase transformation. • MR (%) decreases with Ba-doping, however T{sub MI} and T{sub C} increase with doping. • High temperature TEP data follows SPH model. • At low temperatures, electron–magnon scattering play role in thermal transport. - Abstract: A systematic study on the structural, electrical, magnetic and thermo-electric properties of La{sub 0.8}Ba{sub x}Ca{sub 0.2−x}MnO{sub 3} (0 ⩽ x ⩽ 0.2) manganites is carried out in the present work. The samples have been prepared using solid state reaction technique. All the samples are single phased. It is seen that Ba-doping introduces a structural phase transformation viz. from rhombohedral to cubic system. Electric and magnetic studies respectively show that the metal–insulator transition temperature, T{sub MI} and Curie temperature, T{sub C} increase with Ba-content. Magneto-resistance (MR) data shows that it decreases with Ba-doping. Analyses of the electrical transport data in metallic region i.e. T < T{sub MI} shows that the electrical transport is governed predominantly by electron–electron scattering process. On the other hand, the adiabatic small polaron hopping (ASPH) model is appropriate in the high-temperature insulating range viz. T > T{sub MI}. We have used the electrical resistivity data in the entire temperature range (50–300 K) and analyzed using the phenomenological percolation model which is based on the phase segregation mechanism. We have analyzed the Seebeck coefficient data which reveals that the small polaron hopping mechanism is operative in high temperature regime and the low temperature region is examined by taking into account the impurity, electron–magnon scattering, and spin wave fluctuation terms. It is established that the electron–magnon scattering is dominating for the thermoelectric transport below T{sub MI}.

Chemical solution deposited BaPbO3 buffer layers for lead zirconate titanate ferroelectric films

International Nuclear Information System (INIS)

Tseng, T.-K.; Wu, J.-M.

2005-01-01

Conductive perovskite BaPbO 3 (BPO) films have been prepared successfully by chemical solution deposition method through spin-coating on Pt/Ti/SiO 2 /Si substrates. The choice of baking temperature is a key factor on the development of conducting BPO perovskite phase. When the baking temperature is higher than 350 deg. C, the BPO films contain a high content of BaCO 3 phase after annealing at temperatures higher than 500 deg. C. If the baking temperature is chosen lower than 300 deg. C, such as 200 deg. C, the annealed BPO films consist mostly of perovskite with only traces of BaCO 3 . Choosing 200 deg. C as the baking temperature, the BPO films developed single perovskite phase at temperatures as low as 550 deg. C. The perovskite BPO phase is stable in the range of 550-650 deg. C and the measured sheet resistance of the BPO films is about 2-3 Ω/square. The perovskite BPO film as a buffer layer provides improvement in electric properties of lead zirconate titanate films

Iron valence in double-perovskite (Ba,Sr,Ca)2FeMoO6: isovalent substitution effect

International Nuclear Information System (INIS)

Yasukawa, Y.; Linden, J.; Chan, T.S.; Liu, R.S.; Yamauchi, H.; Karppinen, M.

2004-01-01

In the Fe-Mo based B-site ordered double-perovskite, A 2 FeMoO 6.0 , with iron in the mixed-valence II/III state, the valence value of Fe is not precisely fixed at 2.5 but may be fine-tuned by means of applying chemical pressure at the A-cation site. This is shown through a systematic 57 Fe Moessbauer spectroscopy study using a series of A 2 FeMoO 6.0 [A=(Ba,Sr) or (Sr,Ca)] samples with high degree of Fe/Mo order, the same stoichiometric oxygen content and also almost the same grain size. The isomer shift values and other hyperfine parameters obtained from the Moessbauer spectra confirm that Fe remains in the mixed-valence state within the whole range of A constituents. However, upon increasing the average cation size at the A site the precise valence of Fe is found to decrease such that within the A=(Ba,Sr) regime the valence of Fe is closer to II, while within the A=(Sr,Ca) regime it is closer to the actual mixed-valence II/III state. As the valence of Fe approaches II, the difference in charges between Fe and Mo increases, and parallel with this the degree of Fe/Mo order increases. Additionally, for the less-ordered samples an increased tendency of clustering of the antisite Fe atoms is deduced from the Moessbauer data

Electronic structure, magnetic, mechanical and thermo-physical behavior of double perovskite Ba2MgOsO6

Science.gov (United States)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar; Parey, Vanshree

2018-02-01

The electronic structure, the magnetic, elasto-mechanical and thermodynamic belongings of cubic double oxide perovskites Ba2MgOsO6 have been successfully investigated within the full potential linearized augmented plane wave method (FP-LAPW), based upon the density functional theory (DFT). The structural examination reveals ferromagnetic stability and the spin polarized electronic band structure and density of states display half-metallic nature of the compound. The calculated magnetic moment was found to have an integer value of 2μ_B. From the knowledge of obtained elastic constants mechanical properties like Young's modulus ( E), shear modulus ( G), Poisson ratio (ν) and the anisotropic factor have been predicted. The calculated B/ G and Cauchy pressure ( C_{12}-C_{44}) both portray the ductile nature of the compound. For a complete understanding of the thermo-physical behavior of vital parameters like heat capacity, thermal expansion, Grüneisen parameter and Debye temperature were predicted using quasi harmonic Debye approximation.

Microstructural, Magnetic, and Optical Properties of Pr-Doped Perovskite Manganite La0.67Ca0.33MnO3 Nanoparticles Synthesized via Sol-Gel Process

Science.gov (United States)

Xia, Weiren; Wu, Heng; Xue, Piaojie; Zhu, Xinhua

2018-05-01

We report on microstructural, magnetic, and optical properties of Pr-doped perovskite manganite (La1 - xPrx)0.67Ca0.33MnO3 (LPCMO, x = 0.0-0.5) nanoparticles synthesized via sol-gel process. Structural characterizations (X-ray and electron diffraction patterns, (high resolution) TEM images) provide information regarding the phase formation and the single-crystalline nature of the LPCMO systems. X-ray and electron diffraction patterns reveal that all the LPCMO samples crystallize in perovskite crystallography with an orthorhombic structure ( Pnma space group), where the MnO6 octahedron is elongated along the b axis due to the Jahn-Teller effect. That is confirmed by Raman spectra. Crystallite sizes and grain sizes were calculated from XRD and TEM respectively, and the lattice fringes resolved in the high-resolution TEM images of individual LPCMO nanoparticle confirmed its single-crystalline nature. FTIR spectra identify the characteristic Mn-O bond stretching vibration mode near 600 cm- 1, which shifts towards high wavenumbers with increasing post-annealing temperature or Pr-doping concentration, resulting in further distortion of the MnO6 octahedron. XPS revealed dual oxidation states of Mn3+ and Mn4+ in the LPCMO nanoparticles. UV-vis absorption spectra confirm the semiconducting nature of the LPCMO nanoparticles with optical bandgaps of 2.55-2.71 eV. Magnetic measurements as a function of temperature and magnetic field at field cooling and zero-field cooling modes, provided a Curie temperature around 230 K, saturation magnetization of about 81 emu/g, and coercive field of 390 Oe at 10 K. Such magnetic properties and the semiconducting nature of the LPCMO nanoparticles will make them as suitable candidate for magnetic semiconductor spintronics.

Thermodynamic stability and kinetics of perovskite dissolution

Energy Technology Data Exchange (ETDEWEB)

Nesbitt, H W; Bancroft, G M; Fyfe, W S; Karkhanis, S N; Nishijima, A [Western Ontario Univ., London (Canada); Shin, S [National Chemical Lab. for Industry, Tsukuba (Japan)

1981-01-29

Perovskite, a SYNROC host mineral for nuclear wastes, is thermodynamically unstable in natural waters and in association with common minerals. Leach experiments demonstrate that CaTiO/sub 3/ (perovskite), SrTiO/sub 3/ and BaTiO/sub 3/ are as reactive as some silicate glasses below 100/sup 0/C, but leach much more slowly than glasses above 100/sup 0/C.

Synthesis, structure and phase separation of a new 12R-type perovskite-related oxide Ba3NdMn2O9

International Nuclear Information System (INIS)

Yang, H.; Tang, Y.K.; Yao, L.D.; Zhang, W.; Li, Q.A.; Li, F.Y.; Jin, C.Q.; Yu, R.C.

2007-01-01

A new 12R-type perovskite-related oxide, Ba 3 NdMn 2 O 9 , has been prepared by traditional solid-state reaction method and the presence of chemical phase separation phenomenon has been revealed by transmission electron microscopy. The perfect grains of the compound have an average chemical composition of Ba 4 NdMn 3 O 12 (mainly for cationic ratio) according to the characterization by TEM-EDX. In this perfect 12R-type structure with composition Ba 4 NdMn 3 O 12 , the Nd cations are located in the corner-sharing octahedra, whereas the Mn cations are located in the face-sharing octahedra, leading to a remarkable cation ordering. Superstructure modulation was found to be a common phenomenon in the 12R polytype and the modulated areas were revealed by both EDX and EELS to be Nd rich compared to the perfect areas. This result together with the previous work [A.F. Fuentes, K. Boulahya, U. Amador, J. Solid State Chem. 177 (2004) 714] has shown that, for the rare-earth-containing Ba-RE-Mn-O systems (RE being rare-earth elements), the composition Ba 4 REMn 3 O 12 (mainly for cationic ratio) is required for the formation of perfect 12R polytype

Facile synthesis, structure elucidation, and magnetic properties of perovskite BaTb{sub 1-x}Bi{sub x}O{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Farid, Muhammad Asim; Zhang, Hao; Li, Guobao; Liao, Fuhui; Lin, Jianhua [Beijing National Laboratory for Molecular Sciences, State Key Laboratory of Rare Earth Materials Chemistry and Applications, College of Chemistry and Molecular Engineering, Peking University, 100871, Beijing (China); Yang, Aimei [College of Materials Science and Engineering, Guilin University of Technology, 541004, Guilin (China); Tian, Gengfang; Wu, Meimei [Neutron Scattering Laboratory, Department of Nuclear Physics, China Institute of Atomic Energy, 102413, Beijing (China)

2017-03-17

A series of perovskite BaTb{sub 1-x}Bi{sub x}O{sub 3} (0.0 ≤ x ≤ 0.25) solid solutions were synthesized by a typical solid-state method. Their structures were analyzed by a combination of X-ray diffraction, neutron diffraction, and selected-area electron diffraction. All of the materials crystalize in the P1 space group [a = 6.0582(1) Aa, b = 6.0473(1) Aa, c = 6.0693(1) Aa, α = 60.00(1) , β = 59.84(1) , γ = 60.06(1) for x = 0.0 at room temperature]. Magnetic measurements revealed that the magnetic-ordering temperature decreases with increasing Bi content in BaTb{sub 1-x}Bi{sub x}O{sub 3}; therefore, the presence of Bi decreases the magnetic interactions of Tb. Furthermore, the magnetic structure for BaTb{sub 1-x}Bi{sub x}O{sub 3} has been fully described in space group P1. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Investigation of structural and electrical properties of La0.7(Ba1-xCax)0.3MnO3 compounds by sol-gel method

International Nuclear Information System (INIS)

Winarsih, Suci; Kurniawan, Budhy; Manaf, Azwar; Nanto, Dwi; Imaduddin, Agung; Hendrik; Saptari, Sitti Ahmiatri

2016-01-01

In this paper, we explored structural and electrical properties of La 0.7 (Ba 1-x Ca x ) 0.3 MnO 3 (x = 0; 0.03; and 0.05) compounds. The general structure of perovskite manganites is AMnO 3 (A= trivalent rare earth with divalent ion-doped). Average A-site cation size, external pressure, and the variance of the cation size σ 2 are one of many factors that affected to magneto-transport properties of manganites as reported by others. In this work we focus only on the electrical properties in La 0.7 Ba 0.3 MnO 3 Ca-doped compound which may influence crystal structure resulting resistivity phenomena under magnetic field influence. All samples were synthesized by sol-gel method from which fine powders were obtained. The X-ray powder diffraction pattern of powder materials shows that all samples are fully crystalline with a rhombohedral structure. Rietveld refinement shows that the presence of calcium has changed some crystal structural parameters such lattice parameter, Mn–O bond length, and Mn–O–Mn angles. The electrical resistivity of all synthesized materials investigated by four point probe method using Cryogenic Magnet in the temperature range of 50-300 K under influence a magnetic field shows resistivity temperature dependent. In fact presence of calcium has reduced the resistivity. It might occure because it has made an enhancement in the mobility of hopping electrons. The magnetic external field causes the resistivity decreased for all samples because host spin align by delocalizing the charge carries so electron itinerant through the lattice suggested by other authors. Both calcium dopant concentration and the applied external magnetic field shows strong correlation in reduction of resistivity.

Colossal magnetoresistance manganites

Indian Academy of Sciences (India)

Keywords. Manganites; colossal magnetoresistance; strongly correlated electron systems; metal-insulator transitions and other electronic transitions; Jahn-Teller polarons and electron-phonon interaction.

Magnetic phase transitions in the anion-deficient La sub 1 sub - sub x Ba sub x MnO sub 3 sub - sub x sub / sub 2 (0 <= x <= 0.50) manganites

CERN Document Server

Trukhanov, S V; Bushinsky, M V; Troyanchuk, I O; Szymczak, H

2003-01-01

The crystal structure, magnetization and electrical resistivity properties of the anion-deficient La sub 1 sub - sub x Ba sub x MnO sub 3 sub - sub x sub / sub 2 (0 = 0.03) being a mixture of antiferromagnetic and ferromagnetic phases. At x >= 0.12 competition between antiferromagnetic and ferromagnetic interactions leads to a cluster spin glass state appearance with a magnetic moment freezing temperature of approx 45 K. The dominant magnetic phase for x >= 0.22 is supposed to be antiferromagnetic. All the reduced samples are semiconductors and show considerable magnetoresistance over a wide temperature range in a magnetically ordered state. The largest magnetoresistance (approx 34% in a 9 kOe field at liquid nitrogen temperatures) is observed for an x = 0.30 sample. The magnetic phase diagram of La sub 1 sub - sub x sup 3 sup + Ba sub x sup 2 sup + Mn sup 3 sup + O sub 3 sub - sub x sub / sub 2 sup 2 sup - manganites has been established by combining the results of magnetic and electrical measurements. The r...

First principles study of the structural and electronic properties of double perovskite Ba{sub 2}YTaO{sub 6} in cubic and tetragonal phases

Energy Technology Data Exchange (ETDEWEB)

Deluque Toro, C.E., E-mail: deluquetoro@gmail.com [Grupo de Nuevos Materiales, Universidad Popular del Cesar, Valledupar (Colombia); Rodríguez M, Jairo Arbey [Grupo de Estudios de Materiales—GEMA, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Landínez Téllez, D.A. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia); Moreno Salazar, N.O. [Departamento de Física, Universidade Federal de Sergipe (Brazil); Roa-Rojas, J. [Grupo de Física de Nuevos Materiales, Departamento de Física, Universidad Nacional de Colombia, AA 5997 Bogotá DC (Colombia)

2014-12-15

The Ba{sub 2}YTaO{sub 6} double perovskite presents a transition from cubic (Fm−3m) to tetragonal structure (I4/m) at high temperature. In this work, we present a detailed study of the structural and electronic properties of the double perovskite Ba{sub 2}YTaO{sub 6} in space group Fm−3m and I4/m. Calculations were made with the Full-Potential Linear Augmented Plane Wave method (FP-LAPW) within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient (GGA) and Local Density (LDA) approximations. From the minimization of energy as a function of volume and the fitting of the Murnaghan equation some structural characteristics were determined as, for example, total energy, lattice parameter (a=8.50 Å in cubic phase and a=5.985 Å and c=8.576 Å in tetragonal), bulk modulus (135.6 GPa in cubic phase and 134.1 GPa in tetragonal phase) and its derivative. The study of the electronic characteristics was performed from the analysis of the electronic density of states (DOS). We find a non-metallic behavior for this with a direct band gap of approximately 3.5 eV and we found that the Ba{sub 2}YTaO{sub 6} (I4/m) phase is the most stable one. {sup ©} 2013 Elsevier Science. All rights reserved.

Sintering and electrical properties of strontium-doped lanthanum manganite

Energy Technology Data Exchange (ETDEWEB)

Tarrago, Diego Pereira; Sousa, Vania Caldas de [Universidade Federal do Rio Grande do Sul (LABIOMAT/PPGEM/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia de Minas, Metalurgica e de Materiais. Lab. de Biomateriais], Email: dptarrago@gmail.com; Moreno Buriel, Berta; Chinarro Martini, Eva; Jurado Egea, Jose Ramon [Consejo Superior de Investigaciones Cientificas (ICV/CSIC), Madrid (Spain). Inst. de Ceramica y Vidrio; Malfatti, Celia de Fraga [Universidade Federal do Rio Grande do Sul (LAPEC/PPGEM/UFRGS), Porto Alegre, RS (Brazil). Programa de Pos-Graduacao em Engenharia de Minas, Metalurgica e de Materiais. Lab. de Pesquisa em Corrosao

2010-07-01

Lanthanum strontium manganites (LSM) are potential materials for cathode applications in solid oxide fuel cells (SOFC) due to their good catalytic activity, chemical stability and compatibility with electrolyte materials in high temperatures. The sinterability of single phase La{sub 1-x}Sr{sub x}Mn{sub O3} (x=0.18) perovskite powders and the electrical properties of the resulting samples are analyzed in this study. Using a heating microscope, the powders were pressed and sintered at different pressures and temperatures, resulting in an open porosity of 33.36% when compacted at 125 MPa and sintered at 1200 degree C. Top and cross-section s canning electron microscopy (SEM) micrographs revealed interconnected pores in the sintered body and, hence, a suitable microstructure for the application. The activation energy for conductance was 0.04 eV and the tested LSM bulk started to exhibit adequate electrical properties at about 500 degree C. (author)

DFT study on the crystal, electronic and magnetic structures of tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe) via GGA and GGA + U

Science.gov (United States)

Saad, H.-E.; Musa, M.; Elhag, Ahmed

2018-06-01

In this paper, we study the crystal, electronic and magnetic structures of three tantalum based double perovskite oxides Ba2MTaO6 (M = Cr, Mn, Fe). All calculations were performed using the full-potential linear augmented plane-wave (PF-LAPW) method based on the first-principles density functional theory (DFT). For the exchange correlation potential, the generalized gradient approximation (GGA) and GGA plus on-site Coulomb parameter (GGA + U) were employed. The structural optimization reveals that the three compounds are stable in cubic structure (space group Fm-3m; tilt system a0a0a0). The band structure, density of states (DOS), charge density and spin magnetic moments were calculated and analyzed in details. By analysis the band structure and DOS, Ba2MTaO6 exhibits an insulating behavior (M = Cr, Fe) and a half-metallic (HM) nature (M = Mn). GGA + U method yields quite accurate results for the band-gap (Eg) as compared with GGA. We found that all three compounds have stable ferromagnetic (FM) ground state within GGA and GGA + U calculations. The M3+ (3d) ions contribute the majority in the total spin magnetic-moments, while, the empty T5+ (5d) ions carry very small induced magnetic moment via the M (3d)-O (2p)-Ta (5d) hybridization.

Photophysical electronic structure of double-perovskites A{sub 2}GdTaO{sub 6} (A = Ba and Sr)

Energy Technology Data Exchange (ETDEWEB)

Ghosh, Binita, E-mail: ghosh.binita@gmail.com [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India); Dutta, Alo [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India); Shannigrahi, Santiranjan [Institute of Materials Research and Engineering, Agency for Science Technology and Research, 3 Research Link, Singapore 117602 (Singapore); Sinha, T.P. [Department of Physics, Bose Institute, 93/1 Acharya Prafulla Chandra Road, Kolkata 700009 (India)

2015-11-05

X-ray photoemission spectroscopy (XPS) measurements of double perovskite oxides, Ba{sub 2}GdTaO{sub 6} and Sr{sub 2}GdTaO{sub 6} are performed in the energy window of 0–1300 eV. Density functional theory calculations are initiated with the Vienna ab initio Simulation Package to understand the electronic structure of the systems. The calculated DOS has been compared with the experimental valence band XPS spectra. It has been observed that the Ta-5d and O-2p states are hybridized in the valence band. The chemical shifts of these compounds suggest a mixed ionic and covalent character of the bonds, which has been used to explain the electrical conduction mechanism of the systems. The calculated ratio of the spin-orbit interaction energy for Ba 3d and 4d states matches well with the observed experimental results. - Highlights: • DFT calculations of Ba{sub 2}GdTaO{sub 6} and Sr{sub 2}GdTaO{sub 6} have been performed with VASP. • XPS measurements are performed in the energy window of 0–1300 eV. • The calculated DOS has been compared with the valence band XPS spectra. • Chemical shifts from XPS spectra have been used to explain the conduction mechanism.

Highly Efficient Broadband Yellow Phosphor Based on Zero-Dimensional Tin Mixed-Halide Perovskite.

Science.gov (United States)

Zhou, Chenkun; Tian, Yu; Yuan, Zhao; Lin, Haoran; Chen, Banghao; Clark, Ronald; Dilbeck, Tristan; Zhou, Yan; Hurley, Joseph; Neu, Jennifer; Besara, Tiglet; Siegrist, Theo; Djurovich, Peter; Ma, Biwu

2017-12-27

Organic-inorganic hybrid metal halide perovskites have emerged as a highly promising class of light emitters, which can be used as phosphors for optically pumped white light-emitting diodes (WLEDs). By controlling the structural dimensionality, metal halide perovskites can exhibit tunable narrow and broadband emissions from the free-exciton and self-trapped excited states, respectively. Here, we report a highly efficient broadband yellow light emitter based on zero-dimensional tin mixed-halide perovskite (C 4 N 2 H 14 Br) 4 SnBr x I 6-x (x = 3). This rare-earth-free ionically bonded crystalline material possesses a perfect host-dopant structure, in which the light-emitting metal halide species (SnBr x I 6-x 4- , x = 3) are completely isolated from each other and embedded in the wide band gap organic matrix composed of C 4 N 2 H 14 Br - . The strongly Stokes-shifted broadband yellow emission that peaked at 582 nm from this phosphor, which is a result of excited state structural reorganization, has an extremely large full width at half-maximum of 126 nm and a high photoluminescence quantum efficiency of ∼85% at room temperature. UV-pumped WLEDs fabricated using this yellow emitter together with a commercial europium-doped barium magnesium aluminate blue phosphor (BaMgAl 10 O 17 :Eu 2+ ) can exhibit high color rendering indexes of up to 85.

Studies on strain relaxation of La{sub 0.5}Ba{sub 0.5}MnO{sub 3} film by normal and grazing incidence X-ray diffraction

Energy Technology Data Exchange (ETDEWEB)

Wang, Haiou [Hangzhou Dianzi University, Institute of Materials Physics, Hangzhou (China); Tan, Weishi [Hunan City University, College of Communication and Electronic Engineering, Yiyang (China); Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Liu, Hao [Suzhou Institute of Industrial Technology, Department of Electronic and Communication Engineering, Suzhou (China); Cao, Mengxiong; Wang, Xingyu; Ma, Chunlin [Nanjing University of Science and Technology, Key Laboratory of Soft Chemistry and Functional Materials, Department of Applied Physics, Ministry of Education, Nanjing (China); Jia, Quanjie [The Chinese Academy of Sciences, Institute of High Energy Physics, Beijing (China)

2017-03-15

Perovskite manganite La{sub 0.5}Ba{sub 0.5}MnO{sub 3} (LBMO) films were deposited on (001)-oriented single-crystal SrTiO{sub 3} (STO) substrates by pulsed laser deposition. High-resolution X-ray diffraction and grazing incidence X-ray diffraction techniques were applied to characterize the crystal structure and lattice strain of LBMO films. The in-plane and out-of-plane growth orientations of LBMO films with respect to substrate surface have been studied. The epitaxial orientation relationship LBMO (001) [100] //STO (001) [100] exists at the LBMO/STO interface. The lattice strain of LBMO film begins to relax with the thickness of LBMO film up to 12 nm. When the thickness is further increased up to 43 nm, the film is in fully strain-relaxed state. Jahn-Teller strain plays an important role in LBMO/STO system. The mechanism for strain relaxation is in accordance with that of tetragonal distortion. (orig.)

Characterization of mixed-conducting barium cerate-based perovskites for potential fuel cell applications

Science.gov (United States)

Mukundan, R.

levels (≥40 mole%) due to an enhancement of the electronic conductivity. The Ba(Prsb{0.8}Gdsb{0.2})Osb{2.9} sample was found to have the best mixed-conducting properties of all the perovskites evaluated, sigmasb{T}=0.75 S/cm in air at 800sp°C, tsb{H+}=0.15 in a wet argon//dry argon gradient, and tsb{0.2-}≈ 0.05 in a dry air//dry argon gradient. The cathodic overpotentials of the mixed-conducting Pr-doped barium cerates were low, and decreased with increasing ionic and electronic conductivity of the electrode. The lowest overpotential was obtained for the Ba(Prsb{0.8}Gdsb{0.2})Osb{2.9}, cathode, and at low current densities was comparable to that of an optimized porous Pt-electrode. While the substitution of Nb and Ta for Ce lead to an enhancement in the electronic conductivity under reducing conditions associated with the increased reduction of Cesp{4+} to Cesp{3+}, the ionic-conductivity of these perovskites was low. There was no evidence for any protonic conductivity in the 15 mole% Nb and Ta substituted barium cerates. Moreover the anodic overpotential and the anode resistance of these perovskites on a Ba(Cesb{0.8}Gdsb{0.2})Osb{2.9} electrolyte were both high.

Perovskites Ba/sub 2/Bsub(1/2)sup(I)Bsub(1/2)sup(III)Usup(VI)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Roller, H; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1978-11-01

Compounds of type Ba/sub 2/Lisub(1/2)Bsub(1/2)sup(III)Usup(VI)O/sub 6/ and Ba/sub 2/Nasub(1/2)Bsub(1/2)sup(III)Usup(VI)O/sub 6/ are formed with Bsup(III) = La, Nd, Sm, Gd, Y, In as red to reddish brown perovskites. They are for Bsup(III) = La, Nd and Sm polymorphic. With Bsup(III) = La both HT-forms crystallize cubic. In the Li series the HT-modifications with Bsup(III) = Nd, Sm are monoclinic (a < c/..sqrt..2 < b) and in the Na series rhombic (c/..sqrt..2 < a < b); the corresponding Gd, Y, and In compounds have the same structure. The transformation HT ..-->.. TT is reversible. The TT modifications crystallize monoclinic (a < b < c/..sqrt..2). Unlike the HT forms an increase of c and a decrease of a and b is observed, the cell volumina rested nearly unchanged. The origin for the transformation are order disorder phenomena.

Ca-site substitution induced a metal-insulator transition in manganite CaMnO3

International Nuclear Information System (INIS)

Sousa, D.; Nunes, M.R.; Silveira, C.; Matos, I.; Lopes, A.B.; Melo Jorge, M.E.

2008-01-01

A systematic study of the A-site doping in Mn(IV)-rich perovskite manganites Ca 1-x Ho x MnO 3 , over a large homogeneity range (0.1 ≤ x ≤ 0.4), has been performed. A significant increase in the lattice parameters indicated the presence of mixed valence state of Mn: Mn 3+ and Mn 4+ . The substitution of calcium by holmium also induces strong changes in the electrical properties. We found that small Ho concentration produces an important decrease in the electrical resistivity and induces an electrical transition, the temperature corresponding to the metal-insulator transition (T MI ) shifts with the holmium content. This electrical behavior is attributed to the Mn 3+ ions content and a charge order effect

Interface-engineered oxygen octahedral coupling in manganite heterostructures

Science.gov (United States)

Huijben, M.; Koster, G.; Liao, Z. L.; Rijnders, G.

2017-12-01

Control of the oxygen octahedral coupling (OOC) provides a large degree of freedom to manipulate physical phenomena in complex oxide heterostructures. Recently, local tuning of the tilt angle has been found to control the magnetic anisotropy in ultrathin films of manganites and ruthenates, while symmetry control can manipulate the metal insulator transition in nickelate thin films. The required connectivity of the octahedra across the heterostructure interface enforces a geometric constraint to the 3-dimensional octahedral network in epitaxial films. Such geometric constraint will either change the tilt angle to retain the connectivity of the corner shared oxygen octahedral network or guide the formation of a specific symmetry throughout the epitaxial film. Here, we will discuss the control of OOC in manganite heterostructures by interface-engineering. OOC driven magnetic and transport anisotropies have been realized in LSMO/NGO heterostructures. Competition between the interfacial OOC and the strain further away from the interface leads to a thickness driven sharp transition of the anisotropic properties. Furthermore, octahedral relaxation leading to a change of p-d hybridization driven by interfacial OOC appears to be the strongest factor in thickness related variations of magnetic and transport properties in epitaxial LSMO films on NGO substrates. The results unequivocally link the atomic structure near the interfaces to the macroscopic properties. The strong correlation between a controllable oxygen network and the functionalities will have significant impact on both fundamental research and technological application of correlated perovskite heterostructures. By controlling the interfacial OOC, it is possible to pattern in 3 dimensions the magnetization to achieve non-collinear magnetization in both in-plane and out of plane directions, thus making the heterostructures promising for application in orthogonal spin transfer devices, spin oscillators, and low

Perovskites with noble metals of type Ba/sub 3/BM/sub 2/O/sub 9/; B = Mg, Fe, Co, Ni, Zn, Cd; M = Ru, Ir

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S; Ehmann, A [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-04-01

The perovskites Ba/sub 3/BM/sub 2/O/sub 9/ crystallize in a hexagonal BaTiO/sub 3/ structure and could be prepared for M = Ru; B = Mg, Fe, Co, Ni, Zn, Cd and M = Ir; B = Co, Ni. According to intensity calculations on powder data of Ba/sub 3/MgRu/sub 2/O/sub 9/ and Ba/sub 3/NiIr/sub 2/O/sub 9/ (refined intensity related R' value 6.7% (Ba/sub 3/MgRu/sub 2/O/sub 9/) and 6.9% (Ba/sub 3/NiIr/sub 2/O/sub 9/)) an 1:2 order is present and both lattices contain face connected M/sub 2/O/sub 9/ double octahedra linked by another via common corners through BO/sub 6/ single octahedra. The occurrence of this typ of cationic order results for B = Mg, Co, Ni, Zn, Cd from the analysis of the vibrational spectra. For B = Mg, Zn, Cd and presumable with B = Ni the charge distribution is B/sup 2 +// 2 M/sup 5 +/; for B = Co deviation can not be excluded. On the opposite in Ba/sub 3/FeRu/sub 2/O/sub 9/ an electron delocalisation is present.

Effect of Ca-Doping on the Structure and Morphology of Polycrystalline La0.7(Ba1-xCax)0.3MnO3 (x = 0; 0.03; and 0.05)

International Nuclear Information System (INIS)

Winarsih, S; Kurniawan, B; Manaf, A; Saptari, S A; Nanto, D

2016-01-01

In this paper, we report structure and morphology of polycrystalline La 0.7 (Ba 1-x Ca x ) 0.3 MnO 3 (x = 0; 0.03; 0.05). Basically, these materials are perovskite manganites type with the general structure AMnO 3 (A= trivalent rare earth with divalent ion-doped) which have been extensively studied due to their interesting physical properties. It was known that the electron transport in this material influenced by ion doped at A site. Doping with different divalent ions should cause the lattice distortion. Hence, double exchange interaction is enhanced. In this study, we prepared our sample through the sol-gel method. It is show that the method has resulted in powder materials with ultra-fine particle size. The effect of Ca +2 and Ba +2 doping on the structure did not make any phase changing, but the lattice parameter of La 0.7 (Ba 1-x Ca x ) 0.3 MnO 3 decreased below × = 0.03. Microstructure observed by scanning electron microscope to the sintered samples indicated that the microstructure is homogeneous with fine size of equiaxed grain morphology. Microanalysis by EDS confirmed there is no significant different between designated composition and measured one. It is concluded that effect of Ca+ 2 and Ba+ 2 doped in LaMnO 3 has resulted in microstructural and lattice parameter changes. The doped materials are remaining single phase. (paper)

Magnetic and electrical transport properties of perovskite manganites Pr0.6Sr0.4MxMn1-xO3 (M = Fe, Co, Ni

Directory of Open Access Journals (Sweden)

X. S. Ge

2017-12-01

Full Text Available Powder samples of ABO3 perovskite manganites with the composition Pr0.6Sr0.4MxMn1-xO3 (M=Fe, Co, or Ni, 0.00≤x≤0.25 were synthesized using the sol-gel method. X-ray diffraction analyses showed that all three sets of samples had a single phase with an orthorhombic structure. The magnetic moment, μobs, of the samples at 10 K, decreased slowly for x≤0.10, whereas μobs decreased rapidly for x≥0.10. The dependences of μobs on the doping level x for the three series of samples were fitted successfully. In the fitting process, Mn, Fe, Co, and Ni cations were assumed to be trivalent, and the magnetic moment directions of Fe3+, Co3+, and Ni3+ cations were assumed to be canted antiferromagnetically coupled with Mn3+ cations. The cant angle ϕ decreased with the increase in x for x≤0.10 for Fe- and Ni-doped (x≤0.15 for Co-doped samples and increased rapidly when x≥0.10 (x≥0.15 for Co-doped samples. These properties are discussed using an oxygen 2p itinerant electron model, which is very similar to the oxygen 2p hole model proposed by Alexandrov et al. [Phys. Rev. Lett. 96, 117003 (2006].

Microscopic modelling of doped manganites

International Nuclear Information System (INIS)

Weisse, Alexander; Fehske, Holger

2004-01-01

Colossal magneto-resistance manganites are characterized by a complex interplay of charge, spin, orbital and lattice degrees of freedom. Formulating microscopic models for these compounds aims at meeting two conflicting objectives: sufficient simplification without excessive restrictions on the phase space. We give a detailed introduction to the electronic structure of manganites and derive a microscopic model for their low-energy physics. Focusing on short-range electron-lattice and spin-orbital correlations we supplement the modelling with numerical simulations

Perovskites synthesis for solid oxide fuel cells; Sintese de perovsquitas para celulas a combustivel de oxido solido

Energy Technology Data Exchange (ETDEWEB)

Soares, Sibelle F.C.X.; Melo, Dulce M.A.; Pimentel, Patricia M.; Melo, Marcus A. Freitas; Martinelli, Daniele M.H. [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Dept. de Quimica]. E-mail: sibelle.cunha@gmail

2008-07-01

This work aims to study on the obtaining powders of lanthanum manganite oxides with partial substitution of La with strontium at 20% for the application as a cathode for solid oxide fuel cell, through a route of synthesis that are similar to the Pechini method, in which gelatin replaces the ethylene glycol as polymerization agent. The method highlights itself due to its simplicity, low cost and capability to obtain crystalline powders with the high purity and good stoichiometric control. The perovskite obtained were characterized by thermogravimetric analysis, X ray diffraction, electronic scanning microscopy and the superficial area by BET method. The deposition of the perovskite on electrolyte/anode system was done through the spin coating technique. The methodology used for the perovskite synthesis was very efficient, considering a monophasic material was obtained and with characteristics that were proper to the application as electrode to solid oxide fuel cells. (author)

Paintable Carbon-Based Perovskite Solar Cells with Engineered Perovskite/Carbon Interface Using Carbon Nanotubes Dripping Method.

Science.gov (United States)

Ryu, Jaehoon; Lee, Kisu; Yun, Juyoung; Yu, Haejun; Lee, Jungsup; Jang, Jyongsik

2017-10-01

Paintable carbon electrode-based perovskite solar cells (PSCs) are of particular interest due to their material and fabrication process costs, as well as their moisture stability. However, printing the carbon paste on the perovskite layer limits the quality of the interface between the perovskite layer and carbon electrode. Herein, an attempt to enhance the performance of the paintable carbon-based PSCs is made using a modified solvent dripping method that involves dripping of the carbon nanotubes (CNTs), which is dispersed in chlorobenzene solution. This method allows CNTs to penetrate into both the perovskite film and carbon electrode, facilitating fast hole transport between the two layers. Furthermore, this method is results in increased open circuit voltage (V oc ) and fill factor (FF), providing better contact at the perovskite/carbon interfaces. The best devices made with CNT dripping show 13.57% power conversion efficiency and hysteresis-free performance. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Improved crystallinity, spatial arrangement and monodispersity of submicron La{sub 0.7}Ba{sub 0.3}MnO{sub 3} powders: A citrate chelation approach

Energy Technology Data Exchange (ETDEWEB)

Rao, Ch. N. [Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India); Samatham, S. Shanmukharao; Ganesan, V.; Sathe, V.G.; Phase, D.M. [UGC-DAE Consortium for Scientific Research, Khandwa Road, Indore 452 017 (India); Kale, S.N., E-mail: sangeetakale2004@gmail.com [Department of Applied Physics, Defence Institute of Advanced Technology, Girinagar, Pune 411025 (India)

2012-11-15

The perovskite manganite systems have been the materials of tremendous interest due to their strong correlation between structure, transport and magnetism. These materials in their single-crystal form show colossal magneto-resistance (CMR), but the applied fields are very high ({approx}1-5 T). The polycrystalline samples do show high low-field magneto-resistance (LFMR), but good amount of control over particle sizes and grain-boundary distribution is required, which is well known but less realized in practical approaches. In this context, we report on synthesis and manipulation of polycrystalline La{sub 0.7}Ba{sub 0.3}MnO{sub 3} (LBMO) submicron powders using citric acid chelation. The Citrate-gel route is used to synthesize poly-dispersed LBMO powders which are subjected to citrate chelation for a duration of 0 (LB0) to 4 h(LB4) . The samples show improved ordering in X-ray diffraction patterns. Raman spectroscopy scans indicate changed mode signatures due to the probable chelating process, which alters the surface morphology. X-ray photoelectron microscopy shows an evidence of fine citrate layer on the grain boundaries. Low temperature B-H curves exhibit fine hysteresis loops for all samples, while room temperature B-H curves shows paramagnetic response. Scanning electron microscopy images showed the formation of well arranged, connected, mono-dispersed grains of LB4 sample, as against polydispered LB0. The magneto-resistance (at H=100 kOe) is seen to enhance for LB4 at its transition temperature (75%, as compared to LB0, where it is 60%), which can be attributed to the well-controlled inter-grain tunneling phenomenon and thin insulating regions in between, created due to citrate chelation, which probably enhances the scattering phenomenon and its susceptibility to applied fields. As citric acid is known to chelate Mn ions, it probably chelates the smaller LB particulate structure and leaves behind citrate-connected submicron grains of LBMO, which are seen to be

Hexagonal perovskites with cationic vacancies. 5. Structure determination on H-Ba/sub 2/Lusub(2/3)vacantsub(1/3)WO/sub 6/ - a novel rhombohedral stacking polytype with 18 layers

Energy Technology Data Exchange (ETDEWEB)

Wischert, W; Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1979-01-01

Compounds of type Ba/sub 2/Bsub(2/3)sup(III)vacantsub(1/3)Wsup(VI)O/sub 6/ with Bsup(III) = Gd-Lu, Y are polymorphic. They crystallize in a cubic 1:1 ordered perovskite structure and in a new rhombohedral perovskite stacking polytype of 18 L respectively. By intensity calculations out of the three possible stacking sequences (4)(2), (5)(1) and (3)1(1)1 (all space group R3m) the sequence (5)(1) can be selected. For H-Ba/sub 2/Lusub(2/3)vacant sub(1/3)WO/sub 6/ the refined R' factor is 14.1%. The structure contains groups of three octahedra connected with another by common faces which are linked with each other by three corner sharing octahedra. In the block of three face sharing octahedra the central octahedral lattice site is vacant, the two outer positions are occupied by tungsten atoms. According to this distribution a direct contact of occupied face sharing octahedra is absent.

Proton conducting solid oxide fuel cells with layered PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+{delta}} perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-03-15

BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7) exhibits adequate protonic conductivity as well as sufficient chemical and thermal stability over a wide range of SOFC operating conditions, while layered perovskite PrBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+{delta}} (PBSC) has advanced electrochemical properties. This research fully takes advantage of these advanced properties and develops a novel protonic ceramic membrane fuel cell (PCMFC) of Ni-BZCY7 vertical stroke BZCY7 vertical stroke PBSC. Experimental results show that the cell may achieve the open-circuit potential of 1.005 V, the maximal power density of 520 mW cm{sup -2}, and a low electrode polarization resistance of 0.12 {omega}cm{sup 2} at 700 C. Increasing operating temperature leads to the decrease of total cell resistance, among which electrolyte resistance becomes increasingly dominant over polarization resistance. The results also indicate that PBSC perovskite cathode is a good candidate for intermediate temperature PCMFC development, while the developed Ni-BZCY7 vertical stroke BZCY7 vertical stroke PBSC cell is a promising functional material system for SOFCs. (author)

Magnetically tunable photocurrent in La{sub 0.7}Sr{sub 0.3}MnO{sub 3}/BaSnO{sub 3} heterojunctions

Energy Technology Data Exchange (ETDEWEB)

Luo, Bingcheng; Hu, Junbiao [Department of Applied Physics, Northwestern Polytechnical University, Xi' an (China); Wang, Jing [Department of Applied Physics, Northwestern Polytechnical University, Xi' an (China); Department of Physics, Pennsylvania State University, University Park, PA (United States)

2017-12-15

Artificially constructed oxide heterointerfaces have attracted much attention. Herein, the novel all-perovskite p-n heterojunction composed of a colossal magnetoresistive manganite La{sub 0.7}Sr{sub 0.3} MnO{sub 3} (LSMO) and an n-type transparent semiconducting BaSnO{sub 3} (BSO) is designed via optimizing the growth condition. This LSMO/BSO p-n junction exhibits good rectification with a forward-to-reverse ratio of 275 at 1 V, high photo detection capability with a photo-to-dark current of 581.9 at -0.5 V, high ultraviolet light sensitivity with a UV (360 nm)-to-visible (532 nm) ratio of ∝2.4 x 10{sup 3}, and a significantly magneto-tunable photocurrent with a variation ratio of ∝1.25 % under 532 nm illumination and 0.5 T magnetic field. As a result, combining synergistically the functionality of diode and magnetically tunable photo detector, the LSMO/BSO p-n junction is a promising candidate for advanced magneto-optoelectronic devices. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

Vibrational spectra of ordered perovskites

NARCIS (Netherlands)

Corsmit, A.F.; Hoefdraad, H.E.; Blasse, G.

1972-01-01

The vibrational spectra of the molecular M6+O6 (M = Mo, Te, W) group in ordered perovskites of the type Ba2M2+M6+O6 are reported. These groups have symmetry Oh, whereas their site symmetry is also Oh. An assignment of the internal vibrations is presented.

Computational study on oxynitride perovskites for CO_2 photoreduction

International Nuclear Information System (INIS)

Hafez, Ahmed M.; Zedan, Abdallah F.; AlQaradawi, Siham Y.; Salem, Noha M.; Allam, Nageh K.

2016-01-01

Highlights: • Oxynitride perovskites are investigated for photoelectrochemical CO_2 reduction. • They have small electron and hole effective masses, rendering higher mobility. • The effect of cation size on the band gap is investigated and discussed. • W-doping allowed the selection of specific CO_2 reduction products. - Abstract: The photocatalytic conversion of CO_2 into chemical fuels is an attractive route for recycling this greenhouse gas. However, the large scale application of such approach is limited by the low selectivity and activity of the currently used photocatalysts. Using first principles calculations, we report on the selection of optimum oxynitride perovskites as photocatalysts for photoelectrochemical CO_2 reduction. The results revealed six perovskites that perfectly straddle the carbon dioxide redox potential; namely, BaTaO_2N, SrTaO_2N, CaTaO_2N, LaTiO_2N, BaNbO_2N, and SrNbO_2N. The electronic structure and the effective mass of the selected candidates are discussed in details, the partial and total density of states illustrated the orbital hybridization and the contribution of each element in the valence and conduction band minima. The effect of cation size in the ABO_2N perovskites on the band gap is investigated and discussed. The optical properties of the selected perovskites are calculated to account for their photoactivity. Moreover, the effect of W doping on improving the selectivity of perovskites toward specific hydrocarbon product (methane) is discussed in details. This study reveals the promising optical and structural properties of oxynitride perovskite candidates for CO_2 photoreduction.

Structural and magnetic properties of Nd0.67Ba0.33MnO3 manganites with partial replacement of Fe and Cu at Mn-site

Science.gov (United States)

Sudakshina, B.; Arun, B.; Chandrasekhar, K. Devi; Yang, H. D.; Vasundhara, M.

2018-06-01

We have investigated the structural and magnetic properties of Nd0.67Ba0.33MnO3 manganite and partial replacement of Mn with Fe and Cu compounds followed by X-ray diffraction (XRD), X-ray absorption spectroscopy (XAS) and vibrating sample magnetometer (VSM). The Rietveld refinement of XRD indicates orthorhombic crystal structure with I-mma space group for all the compounds and thus obtained lattice parameters confirm the presence of co-operative Jahn-Teller effect. XRD and XAS spectra results suggests the existence of Fe3+ in Fe-substituted compound where as a mixed state of Cu2+ and Cu3+ ions in the Cu-substituted compound. The ferromagnetic (FM) to paramagnetic (PM) transition and magnetic moment is found to decrease upon the substitution of Fe and Cu atoms because of the suppression of double exchange interaction. The theoretically obtained and experimentally determined values of effective PM moment and saturation magnetic moment confirms the presence of inhomogeneous magnetic states containing FM and antiferromagnetic clusters in all the studied compounds.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides

Energy Technology Data Exchange (ETDEWEB)

Tomita, Kota; Miyata, Tomohiro [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan); Olovsson, Weine [Department of Physics, Chemistry and Biology (IFM), Linköping University, SE-581 83 Linköping (Sweden); Mizoguchi, Teruyasu, E-mail: teru@iis.u-tokyo.ac.jp [Institute of Industrial Science, The University of Tokyo, 4-6-1 Komaba, Meguro, Tokyo 153-8505 (Japan)

2017-07-15

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO{sub 3}, SrTiO{sub 3}, and BaTiO{sub 3}, together with reference oxides, MgO, CaO, SrO, BaO, and TiO{sub 2}, were investigated using a first-principles Bethe–Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti–O–Ti bonds. - Highlights: • Excitonic interaction in oxygen-K edge is investigated. • Strong excitonic interaction is found in the oxygen-K edge of perovskite oxides. • The strong excitonic interaction is ascribed to the low-dimensional and confined electronic structure.

Investigation of structural and electrical properties of La{sub 0.7}(Ba{sub 1-x}Ca{sub x}){sub 0.3}MnO{sub 3} compounds by sol-gel method

Energy Technology Data Exchange (ETDEWEB)

Winarsih, Suci; Kurniawan, Budhy, E-mail: bkuru07@gmail.com; Manaf, Azwar [Physics Department, Universitas Indonesia, Depok 16424 (Indonesia); Nanto, Dwi [Department of Physics Education, Universitas Islam Negeri Syarif Hidayatullah, Jakarta 15412 (Indonesia); Imaduddin, Agung; Hendrik [Metallurgical Research Center, Lembaga Ilmu Pengetahuan Indonesia, Puspiptek-Serpong 15314 (Indonesia); Saptari, Sitti Ahmiatri [Faculty of Science and Technology, Universitas Islam Negeri Syarif Hidayatullah, Jakarta 15412 (Indonesia)

2016-06-17

In this paper, we explored structural and electrical properties of La{sub 0.7}(Ba{sub 1-x}Ca{sub x}){sub 0.3}MnO{sub 3} (x = 0; 0.03; and 0.05) compounds. The general structure of perovskite manganites is AMnO{sub 3} (A= trivalent rare earth with divalent ion-doped). Average A-site cation size, external pressure, and the variance of the cation size σ{sup 2} are one of many factors that affected to magneto-transport properties of manganites as reported by others. In this work we focus only on the electrical properties in La{sub 0.7}Ba{sub 0.3}MnO{sub 3} Ca-doped compound which may influence crystal structure resulting resistivity phenomena under magnetic field influence. All samples were synthesized by sol-gel method from which fine powders were obtained. The X-ray powder diffraction pattern of powder materials shows that all samples are fully crystalline with a rhombohedral structure. Rietveld refinement shows that the presence of calcium has changed some crystal structural parameters such lattice parameter, Mn–O bond length, and Mn–O–Mn angles. The electrical resistivity of all synthesized materials investigated by four point probe method using Cryogenic Magnet in the temperature range of 50-300 K under influence a magnetic field shows resistivity temperature dependent. In fact presence of calcium has reduced the resistivity. It might occure because it has made an enhancement in the mobility of hopping electrons. The magnetic external field causes the resistivity decreased for all samples because host spin align by delocalizing the charge carries so electron itinerant through the lattice suggested by other authors. Both calcium dopant concentration and the applied external magnetic field shows strong correlation in reduction of resistivity.

Thermodynamic stability and kinetic dissolution of perovskite in natural waters

International Nuclear Information System (INIS)

Nesbitt, H.W.; Bancroft, G.M.; Fyfe, W.S.; Karkhanis, S.; Melling, P.; Nishijima, A.

1981-01-01

Ringwood and coworkers have recently proposed using titanates and zirconates as hosts for nuclear waste in the Synroc B process. Three minerals are used as hosts: perovskite (CaTiO 3 ), Ba-hollandite (BaAl 2 Ti 6 O 16 ), and zirconolite (CaZrTi 2 O 7 ). The Synroc philosophy relies heavily on geological and geochemical observations in selecting stable host minerals. Although it has been recognized that the Synroc minerals are not thermodynamically compatible with siliceous rocks, the minerals are considered to be thermodynamically stable in the presence of water, and it has been reported that these minerals are kinetically stable under high-temperature (up to 900 0 C) hydrothermal conditions. Detailed thermodynamic calculations and leach tests have been performed which demonstrate: first, that perovskite is thermodynamically unstable in all known natural waters; and second, that pervoskite leaches at a significant rate even at 100 0 C. Hydrothermal leach tests have been made on natural and synthetic perovskite and perovskite analogues between 100 0 C and 300 0 C. Weight losses and solution concentrations were monitored. The results reported previously in the literature also show that perovskite is kinetically unstable in the presence of common silicates. Our results show that perovskite may be no more stable than siliceous glasses, such as rhyolite, which have been studied previously. Geologic evidence from common alkaline rocks also indicates that hollandite and zirconolite probably will not survive in common rock matrices

Neutron scattering studies on magnetic excitations in complex ordered manganites

International Nuclear Information System (INIS)

Senff, D.

2007-09-01

This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO 4 , charge- and orbital-ordered La 1/2 Sr 3/2 MnO 4 , and multiferroic TbMnO 3 , which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO 4 , are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO 4 suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La 1/2 Sr 3/2 MnO 4 exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO 3 the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations allows to identify all relevant modes of the

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites

NARCIS (Netherlands)

Gelvez Rueda, M.C.; Hutter, E.M.; Cao, Duyen H.; Renaud, N.; Stoumpos, Constantinos C.; Hupp, Joseph T.; Savenije, T.J.; Kanatzidis, Mercouri G.; Grozema, F.C.

2017-01-01

The optoelectronic properties of hybrid perovskites can be easily tailored by varying their components. Specifically, mixing the common short organic cation (methylammonium (MA)) with a larger one (e.g., butyl ammonium (BA)) results in 2-dimensional perovskites with varying thicknesses of

Effect of the internal pressure and the anti-site disorder on the structure and magnetic properties of ALaFeTiO6 (A=Ca, Sr, Ba) double perovskite oxides

International Nuclear Information System (INIS)

Elbadawi, A.A.; Yassin, O.A.; Gismelseed, Abbasher A.

2013-01-01

Successful preparation of double perovskite oxides of chemical formula ALaFeTiO 6 (A=Ba, Sr and Ca) has been achieved by following the precursor method. The samples were studied by means of X-ray diffraction and Mössbauer spectroscopy. The Rietveld analysis of the X-ray diffraction data showed that all the samples have anti-site disorder. The presence of anti-site disorder has altered the electronic environment around the Fe ion sites which creates electric field gradient between two different sites. Observation of quadruple splitting in the ideal cubic perovskite BaLaFeTiO 6 (its tolerance factor equals 1) is the evidence of this anti-site generated electric field gradient. The valence state of the Fe atom determined from the measurements of the Mössbauer effect of 57 Fe at room temperature and 80 K showed that the iron ion has the Fe 3+ high spin state as extracted from the values of the isomer shift for all the samples. It is evidenced that the anti-site disorder has no appreciable effect on the spin state of the Fe ion, but alters the charge densities at the Fe sites and influences the hyperfine parameters of the present samples. Weak ferromagnetism is observed in CaLaFeTiO 6 and SrLaFeTiO 6 and is related to both the internal pressure and the anti-site effect which facilitate the occurrence of the Fe 3+ ↑−O−Fe 3+ ↓ antiferromagnetic interaction with canted spin. - Highlights: ► Anti-site disorder was revealed in (Ca,Sr,Ba)LaFeTiO 6 double perovskites. ► Mössbauer spectroscopy revealed a dependence of the quadruple splitting and the cation size mismatch. ► Weak ferromagnetism is evidenced due to internal pressure and anti-site disorder.

Crystal structure and magnetic properties of La{sub 2−x}(Sr{sub 0.5}Ca{sub 0.5}){sub 1+x}Mn{sub 2}O{sub 7} (x=0.6, 0.8 and 1.0) Ruddlesden–Popper manganites

Energy Technology Data Exchange (ETDEWEB)

Raju, K.; Song, M.S.; Lee, J.Y., E-mail: jylee@yu.ac.kr

2014-05-01

Double layer perovskite (Ruddlesden–Popper) manganites with the nominal composition of La{sub 2−x}(Sr{sub 0.5}Ca{sub 0.5}){sub 1+x}Mn{sub 2}O{sub 7} (x=0.6, 0.8 and 1.0) were synthesized via a solid state reaction route. X-ray and neutron diffraction were performed at room temperature and the crystal structure was refined using the Rietveld method based on the space group, I4/mmm. The temperature variation of the susceptibility revealed a spin glass transition at 28 K for x=0.6, a charge ordering transition at 245 K and a Neel transition at 170 K for x=1.0. - Highlights: • Lanthanum based double layered manganites were prepared by doping with the same amounts of Sr and Ca. • X-ray and neutron diffraction were performed and the crystal structure was refined using the Rietveld method. • Different magnetic transitions were observed depending upon the doping concentration. • Qualitative explanation for the various observed phenomena was given.

Ultrafast atomic layer-by-layer oxygen vacancy-exchange diffusion in double-perovskite LnBaCo2O5.5+δ thin films.

Science.gov (United States)

Bao, Shanyong; Ma, Chunrui; Chen, Garry; Xu, Xing; Enriquez, Erik; Chen, Chonglin; Zhang, Yamei; Bettis, Jerry L; Whangbo, Myung-Hwan; Dong, Chuang; Zhang, Qingyu

2014-04-22

Surface exchange and oxygen vacancy diffusion dynamics were studied in double-perovskites LnBaCo2O5.5+δ (LnBCO) single-crystalline thin films (Ln = Er, Pr; -0.5 atoms in the LnBCO thin films is taking the layer by layer oxygen-vacancy-exchange mechanism. The first principles density functional theory calculations indicate that hydrogen atoms are present in LnBCO as bound to oxygen forming O-H bonds. This unprecedented oscillation phenomenon provides the first direct experimental evidence of the layer by layer oxygen vacancy exchange diffusion mechanism.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

Science.gov (United States)

Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

2017-07-01

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-01-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1 − xSrxFeyMn1 − yO3 − δ (0 ≤ x ≤ 1, 0.2 ≤ y ≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst with that of an industrial potassium promoted iron (Fe–K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst showed higher initial activity than the industrial Fe–K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe–K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ and the Fe–K catalysts in a H2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst while the Fe–K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ catalyst had higher potential for activating the steam than the Fe–K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ was superior to that of Fe–K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3 − δ perovskite oxide. PMID:24790949

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

Directory of Open Access Journals (Sweden)

Ryo eWatanabe

2013-10-01

Full Text Available For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1–xSrxFeyMn1–yO3–d(0 ≤ x≤ 1, 0.2 ≤ y≤ 0.8, perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst with that of an industrial potassium promoted iron (Fe–K catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst showed higher initial activity than the industrial Fe–K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe–K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3–d and the Fe–K catalysts in aH2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst while the Fe–K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3–d catalyst had higher potential for activating the steam than the Fe–K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3–d was superior to that of Fe–K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3–d perovskite oxide.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-10-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1-xSrxFeyMn1-yO3-d(0 ≤ x≤ 1, 0.2 ≤ y≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst with that of an industrial potassium promoted iron (Fe-K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst showed higher initial activity than the industrial Fe-K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe-K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3-d and the Fe-K catalysts in aH2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst while the Fe-K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3-d catalyst had higher potential for activating the steam than the Fe-K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3-d was superior to that of Fe-K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3-d perovskite oxide.

Lanthanoid-free perovskite oxide catalyst for dehydrogenation of ethylbenzene working with redox mechanism.

Science.gov (United States)

Watanabe, Ryo; Ikushima, Maiko; Mukawa, Kei; Sumomozawa, Fumitaka; Ogo, Shuhei; Sekine, Yasushi

2013-01-01

For the development of highly active and robust catalysts for dehydrogenation of ethylbenzene (EBDH) to produce styrene; an important monomer for polystyrene production, perovskite-type oxides were applied to the reaction. Controlling the mobility of lattice oxygen by changing the structure of Ba1 - x SrxFe y Mn1 - y O3 - δ (0 ≤ x ≤ 1, 0.2 ≤ y ≤ 0.8), perovskite catalyst showed higher activity and stability on EBDH. The optimized Ba/Sr and Fe/Mn molar ratios were 0.4/0.6 and 0.6/0.4, respectively. Comparison of the dehydrogenation activity of Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst with that of an industrial potassium promoted iron (Fe-K) catalyst revealed that the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst showed higher initial activity than the industrial Fe-K oxide catalyst. Additionally, the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst showed high activity and stability under severe conditions, even at temperatures as low as 783 K, or at the low steam/EB ratio of 2, while, the Fe-K catalyst showed low activity in such conditions. Comparing reduction profiles of the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ and the Fe-K catalysts in a H2O/H2 atmosphere, reduction was suppressed by the presence of H2O over the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst while the Fe-K catalyst was reduced. In other words, Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ catalyst had higher potential for activating the steam than the Fe-K catalyst. The lattice oxygen in perovskite-structure was consumed by H2, subsequently the consumed lattice oxygen was regenerated by H2O. So the catalytic performance of Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ was superior to that of Fe-K catalyst thanks to the high redox property of the Ba0.4Sr0.6Fe0.6Mn0.4O3 - δ perovskite oxide.

Investigation of the structural, electronic and optical properties of the cubic RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr and Ba) using modified Becke-Johnson exchange potential

Energy Technology Data Exchange (ETDEWEB)

Sandeep, E-mail: sndp.chettri@gmail.com [Department of Physics, Mizoram University, Aizawl, 796004 (India); Rai, D.P. [Department of Physics, Pachhunga University College, Mizoram University, 796001 (India); Shankar, A. [Department of Physics, University of North Bengal, Darjeeling, 734013 (India); Ghimire, M.P. [Condensed Matter Physics Research Center, Butwal-13, Rupandehi, Lumbini (Nepal); IFW-Dresden, Helmholtzstraße 20, D-01069, Dresden (Germany); Khenata, R. [Laboratoire de Physique Quantique de la Mati´ere et de Modélisation Mathématique LPQ3M, Université de Mascara, Mascara, 29000 (Algeria); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P. O. Box 2455, Riyadh, 11451 (Saudi Arabia); Syrotyuk, S.V. [Semiconductor Electronics Department, Lviv Polytechnic National University, Lviv, 79013 (Ukraine); Thapa, R.K. [Department of Physics, Mizoram University, Aizawl, 796004 (India)

2017-05-01

The structural, electronic and optical properties of the cubic RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr, Ba) have been investigated using the full-potential linearized augmented plane wave (FP-LAPW) method. The exchange and correlation potential was applied using the generalized gradient approximation for calculating the structural properties In addition, the modified Becke-Johnson (TB-mBJ) potential was used for calculating the electronic and optical properties. It was found that the lattice constant increases while the bulk modulus decreases with the change of cation (M) in going from Be to Ba in the RbMF{sub 3} perovskites (M = Be, Mg, Ca, Sr, Ba). The reflectivity and absorption properties were also studied using the mBJ method to understand the inter-band transitions and their possible applications in absorption devices in the UV-region. - Highlights: • Closer estimate of the band-gaps of RbMF{sub 3} with experimental results using GGA and mBJ results predicting them to be absorption devices and substrates for thin film growth. • The RbMF{sub 3} were also found to be potential candidate for in absorption devices in UV-region which were correlated to their calculated optical properties. • The materials are transparent, so may be used as substrates for thin film growth, for the optoelectric applications.

Structures of ordered tungsten- or molybdenum-containing quaternary perovskite oxides

International Nuclear Information System (INIS)

Day, Bradley E.; Bley, Nicholas D.; Jones, Heather R.; McCullough, Ryan M.; Eng, Hank W.; Porter, Spencer H.; Woodward, Patrick M.; Barnes, Paris W.

2012-01-01

The room temperature crystal structures of six A 2 MMoO 6 and A 2 MWO 6 ordered double perovskites were determined from X-ray and neutron powder diffraction data. Ba 2 MgWO 6 and Ba 2 CaMoO 6 both adopt cubic symmetry (space group Fm3-bar m, tilt system a 0 a 0 a 0 ). Ba 2 CaWO 6 has nearly the same tolerance factor (t=0.972) as Ba 2 CaMoO 6 (t=0.974), yet it surprisingly crystallizes with I4/m symmetry indicative of out-of-phase rotations of the MO 6 octahedra about the c-axis (a 0 a 0 c − ). Sr 2 ZnMoO 6 (t=0.979) also adopts I4/m symmetry; whereas, Sr 2 ZnWO 6 (t=0.976) crystallizes with monoclinic symmetry (P2 1 /n) with out-of-phase octahedral tilting distortions about the a- and b-axes, and in-phase tilting about the c-axis (a − a − c + ). Ca 2 CaWO 6 (t=0.867) also has P2 1 /n symmetry with large tilting distortions about all three crystallographic axes and distorted CaO 6 octahedra. Analysis of 93 double perovskites and their crystal structures showed that while the type and magnitude of the octahedral tilting distortions are controlled primarily by the tolerance factor, the identity of the A-cation acts as the secondary structure directing factor. When A=Ba 2+ the boundary between cubic and tetragonal symmetries falls near t=0.97, whereas when A=Sr 2+ this boundary falls somewhere between t=1.018 and t=0.992. - Graphical abstract: A survey of the tolerance factor of 41 Mo/W- and 52 Nb/Ta-containing quaternary perovskites plotted as a function of the difference between the two six-coordinate M-cation ionic radii. Compounds with cubic symmetry are represented by diamonds, those with tetragonal symmetry are represented by squares, those with I2/m monoclinic symmetry are represented by ×, and those with P2 1 /n monoclinic symmetry are represented by triangles. White symbols represent compositions where A=Ba 2+ , gray symbols represent compositions where A=Sr 2+ , and black symbols represent where A=Ca 2+ . The filled circle represents rhombohedral Ba 2

Transport properties of Nd0.67Sr0.33Mn0.85Co0.15O3 manganite

Science.gov (United States)

Bhargav, Abhinav; Tank, Tejas M.; Sanyal, Sankar P.

2018-05-01

We have studied the structural and electrical transport properties of Nd0.67Sr0.33Mn0.85Co0.15O3 manganite prepared through conventional solid state reaction technique. The investigation of X-ray diffraction data and rietvield refinement show that the synthesized sample is single phase in nature and crystallizes in orthorhombic perovskite structure with Pbnm space group. The resistivity versus temperature measurement for sample Nd0.67Sr0.33Mn0.85Co0.15O3 was performed in the range 0-300K and at 0T field. The electrical transport mechanism of the sample is analyzed by different theoretical models, for temperatures below and above TP.

Partial oxidation of 2-propanol on perovskites

Energy Technology Data Exchange (ETDEWEB)

Sumathi, R.; Viswanathan, B.; Varadarajan, T.K. [Indian Inst. of Tech., Madras (India). Dept. of Chemistry

1998-12-31

Partial oxidation of 2-propanol was carried out on AB{sub 1-x}B`{sub x}O{sub 3} (A=Ba, B=Pb, Ce, Ti; B`=Bi, Sb and Cu) type perovskite oxides. Acetone was the major product observed on all the catalysts. All the catalysts underwent partial reduction during the reaction depending on the composition of the reactant, nature of the B site cation and the extent of substitution at B site. The catalytic activity has been correlated with the reducibility of the perovskite oxides determined from Temperature Programmed Reduction (TPR) studies. (orig.)

Studies of Fe-Co based perovskite cathodes with different A-site cations

DEFF Research Database (Denmark)

Kammer Hansen, K.

2006-01-01

Iron-cobalt based perovskite cathodes with different A-site cations ((Ln(0.6)Sr(0.4))(0.99)Fe0.8Co0.2O3-delta, where Ln is La, Pr, Sm or Gd) have been synthesised, characterised by a powder XRD, dilatometry, 4-point DC conductivity measurements, and electrochemical impedance spectroscopy (EIS......) on cone shaped electrodes. In addition to this scanning electron microscopy (SEM) was used to characterise the bars. XRD revealed that only the La-containing perovskite was hexagonal. The Pr and Sm perovskites were orthorhombic. The gadolinium-based perovskite was a two phase system consisting...... of an orthorhombic and a cubic perovskite phase. The thermal expansion coefficient (TEC) increased systematically with a decrease in the size of the A-site cation until the gadoliniurn-containing perovskite where the TEC decreases abruptly. The total electric conductivity was the highest for the La-based perovskite...

Seed layer technique for high quality epitaxial manganite films

Directory of Open Access Journals (Sweden)

P. Graziosi

2016-08-01

Full Text Available We introduce an innovative approach to the simultaneous control of growth mode and magnetotransport properties of manganite thin films, based on an easy-to-implement film/substrate interface engineering. The deposition of a manganite seed layer and the optimization of the substrate temperature allows a persistent bi-dimensional epitaxy and robust ferromagnetic properties at the same time. Structural measurements confirm that in such interface-engineered films, the optimal properties are related to improved epitaxy. A new growth scenario is envisaged, compatible with a shift from heteroepitaxy towards pseudo-homoepitaxy. Relevant growth parameters such as formation energy, roughening temperature, strain profile and chemical states are derived.

Compounds of the type Ba/sub 3/Bsup(II)M/sub 2/sup(V)O/sub 9/ with Bsup(II) = Mg, Ca, Sr, Ba, and Msup(V) = Nb, Ta

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Thumm, I; Herrmann, M [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-08-01

The hexagonal perovskites Ba/sub 3/Bsup(II)M/sub 2/sup(V)O/sub 9/ (Msup(V) = Nb, Ta) crystallize with Bsup(II) = Mg, Ca in a 3 L structure (sequence (c)/sub 3/) and Bsup(II) = Sr in the hexagonal BaTiO/sub 3/ type (6 L; sequence (hcc)/sub 2/) with an 1:2 order for the B and M ions. Intensity calculations for Ba/sub 3/SrNb/sub 2/O/sub 9/ and Ba/sub 3/SrTa/sub 2/O/sub 9/ gave in the space group P6/sub 3//mmc a refined, intensity related R' value of 8.4% (Nb) and 9.0% (Ta) respectively. For Bsup(II) = Ba the perovskite Ba/sub 3/BaTa/sub 2/O/sub 9/ has an orthorhombic distorted 6 L structure and forms with Ba/sub 3/SrTa/sub 2/O/sub 9/ a continuous series of mixed crystals (Ba/sub 3/Srsub(1-x)Basub(x)Ta/sub 2/O/sub 9/). In the system Ba/sub 3/Srsub(1-x)Basub(x)Nb/sub 2/O/sub 9/ the range of existence of the hexagonal BaTiO/sub 3/ type is confined to the Sr richer end. The pure Ba compound posesses a proper structure type (5 L: Ba/sub 5/BaNb/sub 3/vacantOsub(13.5)vacantsub(1.5)).

GdBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+{delta}} layered perovskite as promising cathode for proton conducting solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Xue, Xingjian, E-mail: Xue@cec.sc.ed [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-04-30

BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7) exhibits adequate proton conductivity as well as sufficient chemical and thermal stability over a wide range of SOFC operating conditions, while layered GdBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+{delta}} (GBSC) perovskite deposited on a doped ceria electrolyte demonstrates advanced electrochemical properties. This research fully takes advantage of these advanced properties and develops novel protonic ceramic membrane fuel cells (PCMFCs) of Ni-BZCY7|BZCY7|GBSC. The results show that the open-circuit potential of 1.003 V, maximum power density of 430 mW cm{sup -2}, and a low polarization resistance of the electrodes of 0.08 {Omega} cm{sup 2} are achieved at 700 {sup o}C. With temperature increases, the total cell resistance decreases, among which electrolyte resistance becomes increasingly dominant over polarization resistance. The results also indicate that GBSC perovskite cathode is a good candidate for intermediate temperature PCMFC development, while the developed Ni-BZCY7|BZCY7|GBSC cell is a promising functional material system for next generation SOFCs.

Structural and electrical properties of Barium Titanate (BaTiO3 and Neodymium doped BaTiO3 (Ba0.995Nd0.005TiO3

Directory of Open Access Journals (Sweden)

Tuan Sulong Tuan Amirah

2017-01-01

Full Text Available Barium titanate (BaTiO3 and Neodymium (Nd doped BaTiO3 with composition Ba0.995Nd0.005TiO3 were prepared using conventional solid state reaction method to study the dielectric properties of materials. Pure phase samples were found at final heating temperature of 1400°C for overnight. X-ray diffraction analysis reveals the changes in the lattice parameter and unit cell volume of the pure perovskite tetragonal structure with space group (P4mm. Electrical analysis is carried out to investigate the dielectric properties, conductivity behaviour and dielectric loss of BaTiO3 and Ba0.995Nd0.005TiO3. Ba0.995Nd0.005TiO3 have a broaden dielectric peaks with high permittivity of 8000 and reasonably low loss tan δ which is about 0.004 (1 kHz.

Half-metallic and insulating natures in Ru-based ordered double perovskite oxides Ba_2X"I"I"IRu"VO_6 (X = V, Cr) induced by 3d-t_2_g"n orbital filling

International Nuclear Information System (INIS)

Saad, H.-E.M. Musa; Althoyaib, S.S.

2017-01-01

In this paper, we present results of a comprehensive systemic study of the crystal, electronic and magnetic structures on two members of Ru-based ordered double perovskite oxides Ba_2XRuO_6 (X = V, Cr). For the corporate compound, the analysis of density of states (DOS) results suggests that the 3d-t_2_g orbital filling plays a major role in governing the conduction mechanism in these systems. The DOS and magnetic results show that Ba_2XRuO_6 exhibits half-metallic (HM) nature as X = V, where the electronic structure of Ba_2V"I"I"IRu"VO_6 with 3d-t_2_g"2 behaves like that of HM ferrimagnetic (FI), switches to compensate FI insulating behavior as X = Cr, with an extra electron filled 3d-t_2_g"3 in Ba_2Cr"I"I"IRu"VO_6. We find, on consideration of electron correlation (LSDA+U) and spin-orbital coupling (SOC) effects that the electronic structure of Ba_2XRuO_6 takes a HM nature, whereas it is completely transformed to insulating nature once an extra electron filled the 3d-t_2_g orbitals in X = Cr case. Such tuning is accompanied by spin-state hopping of one electron from half-filled spin-state in Ru"V (t_2_g"3 e_g"0) to two and three occupied spin-state in V"I"I"I (t_2_g"2 e_g"0) and Cr"I"I"I (t_2_g"3 e_g"0), respectively. The charge distribution results show that this extra electron occupies chiefly the spin-down of conduction orbitals and plays a major role in determining the electronic and magnetic structures of Ba_2XRuO_6 system. - Highlights: • Half-metallic and insulating natures are observed in Ba_2XRuO_6 (X = V, Cr). • 3d-t_2_g"n orbitals filling plays a major role in governing the conduction mechanism. • LSDA+U method under density functional theory (DFT) is considered. • HM ferrimagnetic (FI) (X = V) switch to compensate FI insulating (X = Cr).

Processing and characterisation of various mixed oxide and perovskite-based pigments for high temperature ceramic colouring application

International Nuclear Information System (INIS)

Kar, Jitendra Kumar; Stevens, Ron; Bowen, Christopher R.

2008-01-01

The potential of using new mixed oxides based on perovskite and cerium oxide-based pigments, for high temperature (above 1000 deg. C) ceramic colouring applications is presented in this paper. The solid-state synthesis method was used to manufacture the various pigment precursor powders used in this study. In the case of Er 6 MoO 12 , orange-yellow colours were observed at calcination temperatures of 1200 deg. C and 1300 deg. C with different soaking times. Examination of the X-ray diffraction pattern generated after heat treatment at 1200 deg. C for 2 h revealed the single-phase nature of the compound. However, when applied to unleaded commercial transparent glaze, the pigment powder changed to a light pink colour indicating instability of the pigment in the glaze. Similarly mixed oxides such as Ba 0.5 La 0.5 Na 0.5 Cu 0.5 Si 4 O 10 and Ba 0.5 La 0.5 Na 0.5 Cu 0.5 Si 2 O 6 produced vivid blue and violet-blue colour powders, respectively when calcined between 950 deg. C and 1050 deg. C for different soaking times. X-ray diffraction patterns for Ba 0.5 La 0.5 Na 0.5 Cu 0.5 Si 4 O 10 showed the presence of the phases which included (a) BaCuSi 4 O 10 (b) La 2 Si 2 O 7 (c) SiO 2 and La 2 O 3 (trace) whereas Ba 0.5 La 0.5 Na 0.5 Cu 0.5 Si 2 O 6 confirmed the presence of the phases such as (a) BaCuSi 4 O 10 and (b) BaCuSi 2 O 6 . These pigment powders were also not stable and light-green colours were observed when they were immersed in the unleaded commercial transparent glaze. Finally, A x B (2-x-y) Cr y O 3 (A = rare earth and B = Al) perovskite-type compounds produced a variety of shades of red and yellow colour depending on the rare earth, the value of x and y, and the calcination temperature. An intense brownish-red colour was obtained when the rare earth Erbium was used with x = 1, y = 0.06. From the X-ray diffraction trace, Er (Al Cr)O 3 was found to be the only phase present. SEM micrographs indicated the presence of agglomerates as well as two different types of

Magnetic and magneto-transport properties of double perovskite Ba{sub 2-x}Sr{sub x}FeMoO{sub 6} system

Energy Technology Data Exchange (ETDEWEB)

Pandey, Vibhav; Verma, Vivek; Aloysius, R.P. [National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi-110012 (India); Bhalla, G.L. [Department of Physics and Astrophysics, Delhi University, Delhi (India); Awana, V.P.S.; Kishan, H. [National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi-110012 (India); Kotnala, R.K. [National Physical Laboratory, Dr. K.S. Krishnan Marg, New Delhi-110012 (India)], E-mail: rkkotnala@gmail.com

2009-07-15

The structural magnetic and magneto-transport properties of double perovskite system Ba{sub 2-x}Sr{sub x}FeMoO{sub 6} (0{<=}x{<=}1.0) prepared in bulk polycrystalline form are reported in this paper. X-ray diffraction analysis showed that samples are single phase and the lattice constants decreases with increase in the Sr content. The degree of Fe-Mo ordering has been found decreasing in the series with an increase in the Sr content. Parent compound Ba{sub 2}FeMoO{sub 6} exhibits saturation magnetic moment value of 3.54 {mu}{sub B}/f.u. at 85 K in a magnetic field of 6000 Oe. Temperature dependence of resistivity shows metallic behavior for all the samples. The magneto-resistance (MR) of the compound with x=0.4 is higher than that of the other samples. At room temperature this system shows a saturation magnetization value of 1.73 {mu}{sub B}/f.u. and MR value of 7.08% (1 T). The observed variations in the structural and magnetic properties are attributed to the change of chemical pressure due to the substitution of Sr in place of Ba. The effect of antisite disorder (ASD) defects on magneto-transport properties is studied in more detail.

Manganite based hetero-junction structure of La_0_._7Sr_0_._7_−_xCa_xMnO_3 and CaMnO_3_−_δ for cross-point arrays

International Nuclear Information System (INIS)

Lee, Hong-Sub; Park, Hyung-Ho

2015-01-01

Resistive random access memory and the corresponding cross-point array (CPA) structure have received a great deal of attention for high-density next generation non-volatile memory. However, the cross-talk issue of CPA structure by sneak current should be overcome to realize the highest density integration. To accomplish this, the sneak current can be minimized by high, nonlinear characteristic behaviors of resistive switching (RS). Therefore this study fabricated pnp bipolar hetero-junction structure using the perovskite manganite family, such as La_0_._7Sr_0_._3_−_xCa_xMnO_3 (LSCMO) and CaMnO_3_−_δ (CMO), to obtain nonlinear RS behavior. The pnp structure not only shows nonlinear characteristics, but also a tunable characteristic with Ca substitution. (paper)

Tunable two-phase coexistence in half-doped manganites

Indian Academy of Sciences (India)

Our recent work on half-doped manganites builds on those ideas to explain our data showing continuously tunable phase coexistence of FM and AFM states. Macroscopic hysteresis across transitions is often used to assert their first-order nature, and this has also been done in the case of half-doped manganites [6]. Kuwa-.

Ordered perovskites with cationic vacancies. 6. Structure determination on Ba/sub 2/Cesub(3/4)sup(IV)vacant sub(1/4)Sbsup(V)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-04-01

The ochre coloured Ba/sub 2/Cesub(3/4)sup(IV)vacantsub(1/4)Sbsup(V)O/sub 6/ crystallizes in a tetragonal superstructure of the perovskite type (a=11.95/sub 4/A; c=17.00/sub 0/A) with 16 formula units in the cell: Ba/sub 32/Ce/sub 12/vacant/sub 4/Sb/sub 16/O/sub 96/. The intensity calculations on powder data gives with the space group P4/mmm a refined, intensity related R' value of 4.9%. In the structure the four cationic vacancies are ordered. They form a face centered lattice. All barium ions are displaced by approximately 0.29 A in the direction of the neighbouring vacancies, while the rest of the cations maintain their ideal positions.

Structural and magnetic properties of (NdBa)MnO.sub.3./sub. films on lattice-matched substrates

Czech Academy of Sciences Publication Activity Database

Khoryushin, A.V.; Mozhaeva, J.E.; Mozhaev, P.B.; Yurchenko, V. V.; Stupakov, Oleksandr; Pan, A.V.; Jacobsen, C.S.; Hansen, J.B.

2013-01-01

Roč. 333, MAY (2013), s. 53-62 ISSN 0304-8853 Institutional support: RVO:68378271 Keywords : CMR manganite * NdBa)MnO 3 * substrate-induced strain * oxygen deficiency Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.002, year: 2013 http://www.sciencedirect.com/science/article/pii/S0304885312010049

Observation of Internal Photoinduced Electron and Hole Separation in Hybrid Two-Dimentional Perovskite Films.

Science.gov (United States)

Liu, Junxue; Leng, Jing; Wu, Kaifeng; Zhang, Jun; Jin, Shengye

2017-02-01

Two-dimensional (2D) organolead halide perovskites are promising for various optoelectronic applications. Here we report a unique spontaneous charge (electron/hole) separation property in multilayered (BA) 2 (MA) n-1 Pb n I 3n+1 (BA = CH 3 (CH 2 ) 3 NH 3 + , MA = CH 3 NH 3 + ) 2D perovskite films by studying the charge carrier dynamics using ultrafast transient absorption and photoluminescence spectroscopy. Surprisingly, the 2D perovskite films, although nominally prepared as "n = 4", are found to be mixture of multiple perovskite phases, with n = 2, 3, 4 and ≈ ∞, that naturally align in the order of n along the direction perpendicular to the substrate. Driven by the band alignment between 2D perovskites phases, we observe consecutive photoinduced electron transfer from small-n to large-n phases and hole transfer in the opposite direction on hundreds of picoseconds inside the 2D film of ∼358 nm thickness. This internal charge transfer efficiently separates electrons and holes to the upper and bottom surfaces of the films, which is a unique property beneficial for applications in photovoltaics and other optoelectronics devices.

Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF3, CsCaF3 and BaLiF3.

Science.gov (United States)

Vaitheeswaran, G; Kanchana, V; Zhang, Xinxin; Ma, Yanming; Svane, A; Christensen, N E

2016-08-10

A detailed study of the high-pressure structural properties, lattice dynamics and band structures of perovskite structured fluorides KZnF3, CsCaF3 and BaLiF3 has been carried out by means of density functional theory. The calculated structural properties including elastic constants and equation of state agree well with available experimental information. The phonon dispersion curves are in good agreement with available experimental inelastic neutron scattering data. The electronic structures of these fluorides have been calculated using the quasi particle self-consistent [Formula: see text] approximation. The [Formula: see text] calculations reveal that all the fluorides studied are wide band gap insulators, and the band gaps are significantly larger than those obtained by the standard local density approximation, thus emphasizing the importance of quasi particle corrections in perovskite fluorides.

Singularities of magnetic and elastic characteristics of La2/3Ba1/3MnO3: Analysis of martensitic kinetics

International Nuclear Information System (INIS)

Fertman, E.L.; Beznosov, A.B.; Desnenko, V.A.; Pal-Val, L.N.; Pal-Val, P.P.; Khalyavin, D.D.

2007-01-01

A coordinated temperature behavior of magnetic susceptibility and internal friction has been observed in the La 2/3 Ba 1/3 MnO 3 manganite in the temperature region of the crystal phase separation 5-340 K. Stepwise temperature behavior of the susceptibility of the single crystal sample and corresponding singular behavior of the internal friction in the polycrystalline manganite have been found. These small-scale features of the temperature dependences of the susceptibility and the internal friction are considered to be a reflection of martensitic kinetics of the structural phase transformation R3-barc↔Imma in the 200 K temperature region

Structural, magnetic and electric behavior of the new Ba2TiMoO6 material

International Nuclear Information System (INIS)

Alarcon-Suesca, C.E.; Opel, M.; TellezLandínez Téllez, D.A.; Roa-Rojas, J.

2012-01-01

We report synthesis and characterization of the structural, morphologic and ferroelectric behavior of the complex perovskite Ba 2 TiMoO 6 . Samples of Ba 2 TiMoO 6 were synthesized through standard solid state reaction methods. Crystalline structure was studied by means of X-ray diffraction experiments and Rietveld-like analysis. Results reveal that material crystallizes in a tetragonal structure, space group P4/mnm (no. 123), with cell parameters a=3.8557 Å and c=11.8678 Å. The tolerance factor of perovskite was determined to be 1.04. Surface morphology was examined using Scanning Electron Microscopy, which shows the micrometric granular character of samples with 1.0-5.0 μm mean grain size. Ferroelectric response of material was established from curves of polarization as a function of applied electric field. Our results reveal that Ba 2 TiMoO 6 double perovskite evidences a ferroelectric hysteretic behavior at ambient temperature and paramagnetic ordering. © 2011 Elsevier Science. All rights reserved.

Layered perovskite LaBaCuMO{sub 5+x} (M = Fe, Co) cathodes for intermediate-temperature protonic ceramic membrane fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ling Yihan; Lin Bin; Zhao Ling; Zhang Xiaozhen; Yu Jia; Peng Ranran; Meng Guangyao [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei, Anhui 230026 (China); Liu Xingqin, E-mail: lyhyy@mail.ustc.edu.c [CAS Key Laboratory of Materials for Energy Conversion, Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei, Anhui 230026 (China)

2010-03-18

Layered perovskite LaBaCuFeO{sub 5+x} (LBCF) and LaBaCuCoO{sub 5+x} (LBCC) oxides are synthesized by a modified Pechini method and examined as potential cathode materials for intermediate-temperature protonic ceramic membrane fuel cells (IT-PCMFCs). Thin proton-conducting BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY) electrolyte and NiO-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (NiO-BZCY) anode functional layer are prepared over porous anode substrates composed of NiO-BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} by a one-step dry-pressing/co-firing process. Laboratory-sized quad-layer cells of NiO-BYCZ/NiO-BYCZ/BYCZ/LBCF (LBCC) are operated from 550 to 700 {sup o}C with humidified hydrogen ({approx}3% H{sub 2}O) as fuel and the static air as oxidant. The single cell with LBCF cathode shows peak power densities of only 327 mW cm{sup -2} at 700 {sup o}C and 105 mW cm{sup -2} for 550 {sup o}C, while the single cell with LBCC cathode shows peak power densities of 432 and 171 mW cm{sup -2} at 700 and 550 {sup o}C, respectively. The dramatic improvement of cell performance is attributed to higher cobaltites catalytic activity than that of ferrites for IT-PCMFCs, which is in good agreement with the results of impedance measurement.

Investigation on the structural, magnetic and magnetocaloric properties of nanocrystalline Pr-deficient Pr1-xSrxMnO3-δ manganites

Science.gov (United States)

Arun, B.; Athira, M.; Akshay, V. R.; Sudakshina, B.; Mutta, Geeta R.; Vasundhara, M.

2018-02-01

We have investigated the structural, magnetic and magnetocaloric properties of nanocrystalline Pr-deficient Pr1-xSrxMnO3-δ Perovskite manganites. Rietveld refinement of the X-ray powder diffraction patterns confirms that all the studied compounds have crystallized into an orthorhombic structure with Pbnm space group. Transmission electron microscopy analysis reveals nanocrystalline compounds with crystallite size less than 50 nm. The selected area electron diffraction patterns reveal the highly crystalline nature of the compounds and energy dispersive X-ray spectroscopic analysis shows that the obtained compositions are nearly identical with the nominal one. The oxygen stoichiometry is estimated by iodometric titration method and stoichiometric compositions are confirmed by X-ray Fluorescence Spectrometry analysis. A large bifurcation is observed in the ZFC/FC curves and Arrott plots not show a linear relation but have a convex curvature nature. The temperature dependence of inverse magnetic susceptibility at higher temperature confirms the existence of ferromagnetic clusters. The experimental results reveal that the reduction of crystallite size to nano metric scale in Pr-deficient manganites adversely influences structural, magnetic and magnetocaloric properties as compared to its bulk counterparts reported earlier.

Creep behavior of perovskite-type oxides Ba0.5Sr0.5(Co0.8Fe0.2)1−xZrxO3−δ

NARCIS (Netherlands)

Stournari, V.; ten Donkelaar, S.F.P.; Malzbender, J.; Beck, T.; Singheiser, L.; Bouwmeester, Henricus J.M.

2015-01-01

Compressive creep tests have been performed on perovskite-type oxides Ba0.5Sr0.5(Co0.8Fe0.2)1–xZrxO3−δ (BSCF-Z100·x), where x = 0.01, 0.03, 0.05 and 0.1, for the use as oxygen transport membrane, in air at 800–950 °C and at nominal stresses of 30 MPa and 63 MPa. X-ray diffraction and microstructural

Hybrid Perovskite/Perovskite Heterojunction Solar Cells.

Science.gov (United States)

Hu, Yinghong; Schlipf, Johannes; Wussler, Michael; Petrus, Michiel L; Jaegermann, Wolfram; Bein, Thomas; Müller-Buschbaum, Peter; Docampo, Pablo

2016-06-28

Recently developed organic-inorganic hybrid perovskite solar cells combine low-cost fabrication and high power conversion efficiency. Advances in perovskite film optimization have led to an outstanding power conversion efficiency of more than 20%. Looking forward, shifting the focus toward new device architectures holds great potential to induce the next leap in device performance. Here, we demonstrate a perovskite/perovskite heterojunction solar cell. We developed a facile solution-based cation infiltration process to deposit layered perovskite (LPK) structures onto methylammonium lead iodide (MAPI) films. Grazing-incidence wide-angle X-ray scattering experiments were performed to gain insights into the crystallite orientation and the formation process of the perovskite bilayer. Our results show that the self-assembly of the LPK layer on top of an intact MAPI layer is accompanied by a reorganization of the perovskite interface. This leads to an enhancement of the open-circuit voltage and power conversion efficiency due to reduced recombination losses, as well as improved moisture stability in the resulting photovoltaic devices.

Investigations of the electronic, magnetic and crystalline structure of perovskite oxides and an oxide-oxide interface

International Nuclear Information System (INIS)

Raisch, Christoph Werner

2013-01-01

The mineral perovskite CaTiO 3 lends its name to the class of compounds with composition ABX 3 , which have the same type of crystal structure known as the perovskite structure. Here, A and B are cations while X is typically a halogen or oxygen anion. The bigger cation A and the X anions form a cubic close packing AX 3 with the smaller B cation occupying one quarter of the octahedral sites. The underlying work deals with three classes of perovskite oxides, the ''titanates'', the ''cuprates'' and the ''manganites'', where the central B cations are Ti, Cu and Mn respectively, each class with very characteristic properties. Strontium titanate, STO, like so many oxides is an insulator, yet paraelectric and diamagnetic. It gained special interest as a commercially available, high quality substrate for the growth of hightemperature superconductors and other oxide thin films. The huge class of perovskite cuprates is most famous for members like YBCO, the well-known high-temperature superconductor. Finally, the doped, mixed-valent perovskite manganites LXMO (here X = Sr, Ca, Ce) have to be mentioned. They appeared on the screen of experimental and theoretical physicists in the 1950s when ferromagnetism and magnetoresistance were discovered in these compounds, leading to the theory of double exchange. In the mid-1990s they further increased their importance, following the description of the Jahn-Teller polaron and the discovery of the colossal magnetoresistance phenomenom. They may be derived from an insulator, LaMnO 3 , but the doping allows the control of electric and magnetic properties over a wide range, i.e. from insulating behavior to metallic conductivity or from diamagnet to ferromagnet. Further notable effects are found when electric or magnetic fields are applied, including spin polarization and the related effect of colossal magnetoresistance. These substances may be approximated as consisting of

Ab initio study on mechanical-bending-induced ferroelectric phase transition in ultrathin perovskite nanobelts

International Nuclear Information System (INIS)

Li, H.F.; Zhang, G.H.; Zheng, Yue; Wang, Biao; Chen, W.J.

2014-01-01

Based on first-principles calculations, we systematically investigated the structural, ferroelectric (FE), energetic and electronic properties of bended ultrathin PbTiO 3 and BaTiO 3 nanobelts in between flat sheet and nanotube configurations. It is found that both PbTiO 3 and BaTiO 3 ultrathin nanobelts can possess axial antiferrodistortive structural distortion (AFD distortion), and the magnitude of the AFD rotation angle is obviously determined by the bending curvature of the nanobelts. Meanwhile, spontaneous polarization can be retained in these single-unit-cell-thick nanobelts with contributions from the axial improper ferroelectricity and the radial flexoelectricity, which indicates that ultrathin perovskite nanobelts do not have a critical thickness. On the other hand, we found that the AFD distortion is stable and significant in PbTiO 3 nanobelts while it is metastable in BaTiO 3 nanobelts in comparison with the stable non-AFD structure without AFD distortion. This is due to the competition between AFD distortion and circumferential lattice extension in releasing the elastic energy in BaTiO 3 material. Moreover, we found that the electronic structure and bandgap of the nanobelts can be tuned by the bending curvature, indicating potential control of transport properties by mechanical bending. Our results gave more insight into the inherence of improper ferroelectricity in low-dimensional perovskite ferroelectrics

Neutron scattering studies on magnetic excitations in complex ordered manganites

Energy Technology Data Exchange (ETDEWEB)

Senff, D

2007-09-15

This thesis deals with magnetic excitations in three different Manganese oxides, single-layered LaSrMnO{sub 4}, charge- and orbital-ordered La{sub 1/2}Sr{sub 3/2}MnO{sub 4}, and multiferroic TbMnO{sub 3}, which are studied by means of inelastic neutron scattering. The properties of the first system, LaSrMnO{sub 4}, are governed by the complex interplay of orbital, spin, and lattice degrees of freedom typical for the physics of manganites. The magnetic low-temperature behavior is quite unusual, and the comprehensive analysis of the spin-wave spectrum of LaSrMnO{sub 4} suggests a heterogenous ground state with ferromagnetic orbital polarons embedded in an antiferromagnetic background. The doped system La{sub 1/2}Sr{sub 3/2}MnO{sub 4} exhibits a stable charge- and orbital-ordered state, which today is discussed very controversially, as it is of great relevance for the colossal increase of electric conductivity at the metal-insulator transition in perovskite manganites. Analyzing the spin-wave dispersion of the ordered state, we find an excellent agreement with classical predictions by Goodenough and reject a recent alternative proposal. The different strength of the ferromagnetic and antiferromagnetic exchange in the CE-type ordering leads to the conclusion that the magnetic state has to be considered as a weak AFM coupling of stable FM elements. This thesis is further supported by the thermal evolution of the ordered state, revealing anisotropic correlations and the close competition of FM and AFM correlations above the Neel transition, as well as by the doping dependence of the charge- and orbital-ordered state, which is interpreted on the basis of a different response of the magnetic system with respect to additional electrons or holes. In the orthorhombic perovskite TbMnO{sub 3} the electric polarization is closely coupled to the magnetic degrees of freedom via a complex, non-collinear magnetic ordering. Precisely characterizing the different magnon excitations

A new route of synthesizing perovskite nanotubes by templating approach

Science.gov (United States)

Habiballah, Anisah Shafiqah; Osman, Nafisah; Jani, Abdul Mutalib Md

2017-09-01

A perovskite oxide for example Ba0.5Sr0.5Co0.8Fe0.2O3-δ (BSCF) has attracted growing attention due to its high catalytic activity and mixed ionic/electronic conductivity. Recent research of BSCF is more comprehensively based on a remarkable trajectory of innovation, in particular with regards to the synthesis of perovskite structures in one-dimensional (1-D) nanometric scales as they promote not only to increase an active electrode area for the oxygen reduction reaction, but also allow the tailoring of electrode's architecture. Nevertheless, achieving the desired 1-D structure by a conventional method such as hydrothermal, solvothermal, or sonochemical are far from satisfactory. Herein, the aim of this work is to synthesize the BSCF perovskite nanotubes via soft templating approach, particularly using anodic aluminium oxide (AAO) as a template, focusing on the morphology, composition and structural properties were demonstrated. After the AAO template was anodized at 80 V, the fabricated template was clamped between apair of spectroscopic cells containing BSCF sol and deionized water (with a hole of both sides) for 24 hours. After that, the sample was removed from the cells followed by heat treatment process. The FESEM images showed that BSCF nanotubes were successfully achieved, with the diameter of the nanotubes' approximately 80 nm. The EDX result also confirmed the nominal stoichiometry of Ba0.5Sr0.5Co0.8Fe0.2O3-δ. Meanwhile, the XRD pattern confirmed a single crystalline phase of BSCF nanotubes was successfully obtained and congruent to a cubic perovskite structure of BSCF. Possible formation mechanism,as well as the schematic illustration of BSCF nanotubes inside the template was also discussed in this paper.

Perovskite-Based Solar Cells: Materials, Methods, and Future Perspectives

Directory of Open Access Journals (Sweden)

Di Zhou

2018-01-01

Full Text Available A novel all-solid-state, hybrid solar cell based on organic-inorganic metal halide perovskite (CH3NH3PbX3 materials has attracted great attention from the researchers all over the world and is considered to be one of the top 10 scientific breakthroughs in 2013. The perovskite materials can be used not only as light-absorbing layer, but also as an electron/hole transport layer due to the advantages of its high extinction coefficient, high charge mobility, long carrier lifetime, and long carrier diffusion distance. The photoelectric power conversion efficiency of the perovskite solar cells has increased from 3.8% in 2009 to 22.1% in 2016, making perovskite solar cells the best potential candidate for the new generation of solar cells to replace traditional silicon solar cells in the future. In this paper, we introduce the development and mechanism of perovskite solar cells, describe the specific function of each layer, and focus on the improvement in the function of such layers and its influence on the cell performance. Next, the synthesis methods of the perovskite light-absorbing layer and the performance characteristics are discussed. Finally, the challenges and prospects for the development of perovskite solar cells are also briefly presented.

Synthesis and characterization of a-site doped LaTiO3 nano perovskites

International Nuclear Information System (INIS)

Bradha, M.; Ashok, Anuradha

2013-01-01

Nano-sized lanthanum titanate perovskites (La (1-x) A x TiO 3 ) (A= Ba, Sr, Ca) were prepared by sol-gel method and calcined at 800℃. The synthesised perovskites were characterized by Thermogravimetry/ Differential thermal analysis (TGA/DTA), X-ray diffraction (XRD) and High Resolution Transmission Electron Microscopy (HRTEM) etc. LaTiO 3 is a perovskite having prominent interest for a variety of applications such as dielectric, insulators, charge-transport properties etc. It is a defect perovskite, with transport properties varying from insulating to metallic based on oxygen stoichiometry. In a quest to observe the effect of the nano size on its properties, lanthanum titanate (LaTiO 3 ) nano perovskites with different dopants on the A-site were prepared by using sol-gel method. In the present work we discuss the synthesis and structural analysis of (La 0.8 A 0.2 TiO 3 ). Phase purity and structural analysis of the calcined samples were performed by powder X-ray diffraction (XRD, with CuKα radiation). In addition to this, morphology and crystal structure was examined by Transmission Electron Microscopy (TEM) using a JEOL JEM 2100 HRTEM. HRTEM studies indicate that the nano perovskites are of size around 20 nm. Ring pattern in SAED also confirms that the perovskite is polycrystalline/nanocrystalline. More detailed study on high resolution images and crystal structure shed light on the reason for the properties exhibited by this perovskites

Magnetic features in REMeO3 perovskites and their solid solutions (RE=rare-earth, Me=Mn, Cr)

International Nuclear Information System (INIS)

Moure, Carlos; Peña, Octavio

2013-01-01

Magnetic hysteresis displacement, thermal inversion of the magnetization, hysteresis loops jumps and crossing branches of hysteresis loops at low magnetic fields are reviewed. Most of these phenomena have been observed in magnetic oxide systems, particularly in perovskite-type manganites and chromites. The paper takes into account structural considerations and different geometrical parameters, such as volume or thin layers. - Highlights: ►Review of both spin reversal phenomena thermal and displacive. ► Study of the crossing branches of the magnetic hysteresis loops. ► Review of the behavior of some stepped hysteresis loops

Origins of n -type doping difficulties in perovskite stannates

Science.gov (United States)

Weston, L.; Bjaalie, L.; Krishnaswamy, K.; Van de Walle, C. G.

2018-02-01

The perovskite stannates (A SnO3 ; A = Ba, Sr, Ca) are promising for oxide electronics, but control of n -type doping has proved challenging. Using first-principles hybrid density functional calculations, we investigate La dopants and explore the formation of compensating acceptor defects. We find that La on the A site always behaves as a shallow donor, but incorporation of La on the Sn site can lead to self-compensation. At low La concentrations and in O-poor conditions, oxygen vacancies form in BaSnO3. A -site cation vacancies are found to be dominant among the native compensating centers. Compared to BaSnO3, charge compensation is a larger problem for the wider-band-gap stannates, SrSnO3 and CaSnO3, a trend we can explain based on conduction-band alignments. The formation of compensating acceptor defects can be inhibited by choosing oxygen-poor (cation-rich) growth or annealing conditions, thus providing a pathway for improved n -type doping.

Structural and electrical characterization of (BaTiO3)x(La0.67Sr0.33MnO3)1-x ceramic composites

International Nuclear Information System (INIS)

Gaffoor, Abdul; Ravinder, D.; Joshi, U.S.; Mistry, B.V.; Joshi, Nikhail G.; Chayya, U.V.; Gadhvi, M.R.

2012-01-01

Multiferroic materials with the coexistence of at least two ferroic orders (ferroelectric, (anti-)ferromagnetic, and ferroelastic) have recently drawn ever-increasing interest due to their potential for applications as multifunctional devices. Among them, the coexistence of ferroelectricity and ferromagnetism is highly desired. But only their coexistence is not enough; of most important is to require a strong coupling interaction between two ferroic orders. Ceramic composite of well known ferromagnetic metallic manganite La 0.67 Sr 0.33 MnO 3 (LSMO) is systematically substituted by ferroelectric oxide BaTiO 3 (BTO). Samples with generic formula (BTO) x (LSMO) 1-x (x = 0.0 to 1.0, in step of 0.2) were synthesized by standard double sintering method. XRD show major perovskite LSMO phase upto x=0.6. However mixed phases were detected for almost all the x value except end points. Temperature dependent DC resistivity exhibit systematic metallic to insulator transformation with increasing x. Frequency dependent dielectric constants show a linear decrease over 10 MHz, whereas the loss tangent found to increase abnormally with frequency, with increasing x. Electric field dependent polarization show a broad hysteresis for x e' 0.6. (author)

The role of nonmagnetic d{sup 0} vs. d{sup 10}B-type cations on the magnetic exchange interactions in osmium double perovskites

Energy Technology Data Exchange (ETDEWEB)

Feng, Hai L., E-mail: Hai.Feng@cpfs.mpg.de [Max Planck Institute for Chemical Physics of Solids, Dresden 01187 (Germany); Yamaura, Kazunari [Research Center for Functional Materials, National Institute for Materials Science, Tsukuba, Ibaraki 305-0044 (Japan); Tjeng, Liu Hao [Max Planck Institute for Chemical Physics of Solids, Dresden 01187 (Germany); Jansen, Martin, E-mail: M.Jansen@fkf.mpg.de [Max Planck Institute for Chemical Physics of Solids, Dresden 01187 (Germany); Max Planck Institute for Solid State Research, Stuttgart 70569 (Germany)

2016-11-15

Polycrystalline samples of double perovskites Ba{sub 2}BOsO{sub 6} (B=Sc, Y, In) were synthesized by solid state reactions. They adopt the cubic double perovskite structures (space group, Fm-3m) with ordered B and Os arrangements. Ba{sub 2}BOsO{sub 6} (B=Sc, Y, In) show antiferromagnetic transitions at 93 K, 69 K, and 28 K, respectively. The Weiss-temperatures are −590 K for Ba{sub 2}ScOsO{sub 6}, −571 K for Ba{sub 2}YOsO{sub 6}, and −155 K for Ba{sub 2}InOsO{sub 6}. Sc{sup 3+} and Y{sup 3+} have the open-shell d{sup 0} electronic configuration, while In{sup 3+} has the closed-shell d{sup 10}. This indicates that a d{sup 0} B-type cation induces stronger overall magnetic exchange interactions in comparison to a d{sup 10}. Comparison of Ba{sub 2}BOsO{sub 6} (B=Sc, Y, In) to their Sr and Ca analogues shows that the structural distortions weaken the overall magnetic exchange interactions. - Graphical abstract: Magnetic properties of osmium double perovskites Ba{sub 2}BOsO{sub 6} (B=Sc, Y, In) were studied. Comparison of Ba{sub 2}BOsO{sub 6}indicates that a d{sup 0} B-type cation induces stronger overall magnetic exchange interactions in comparison to a d{sup 10}. - Highlights: • Magnetic properties of double perovskites Ba{sub 2}BOsO{sub 6} (B=Sc, Y, In) were studied. • A d{sup 0}B-type cation induces stronger magnetic interactions than a d{sup 10}. • Structural distortions weaken the overall Os{sup 5+}-Os{sup 5+} magnetic interactions.

Hexagonal perovskites with cationic vacancies. 3. Structure determination on compounds of type Ba/sub 2/Bsub(1/3)sup(III)vacantsub(2/3)Resup(VII)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Wischert, W; Treiber, U [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1978-09-01

Compounds of type Ba/sub 2/Bsub(1/3)sup(III)vacantsub(2/3)Resup(VII)O/sub 6/ with Bsup(III) = rare earth, Y, Sc. In belong to the group of hexagonal perovskite stacking polytypes. For Bsup(III) = Gd, Y structure determinations with powder data have been performed. The refined R' factors are 9.11% for Ba/sub 2/Gdsub(1/3)vacantsub(2/3)ReO/sub 6/ and 12.07% for Ba/sub 2/Ysub(1/3)vacantsub(2/3)ReO/sub 6/. The structure represents a rhombohedral 12 L type (space group R3m) with the sequence hhcchhcchhcc. The lattice contains groups of three octahedra connected by common faces which are linked together by a single octahedron via common vertices. In the block of three face-sharing octahedra the central octahedral lattice site is vacant and the two outer positions are occupied by the rhenium atoms. According to this distribution direct contact of occupied face-sharing octahedra is absent.

High-mobility BaSnO{sub 3} grown by oxide molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Raghavan, Santosh; Schumann, Timo; Kim, Honggyu; Zhang, Jack Y.; Cain, Tyler A.; Stemmer, Susanne, E-mail: stemmer@mrl.ucsb.edu [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)

2016-01-01

High-mobility perovskite BaSnO{sub 3} films are of significant interest as new wide bandgap semiconductors for power electronics, transparent conductors, and as high mobility channels for epitaxial integration with functional perovskites. Despite promising results for single crystals, high-mobility BaSnO{sub 3} films have been challenging to grow. Here, we demonstrate a modified oxide molecular beam epitaxy (MBE) approach, which supplies pre-oxidized SnO{sub x}. This technique addresses issues in the MBE of ternary stannates related to volatile SnO formation and enables growth of epitaxial, stoichiometric BaSnO{sub 3}. We demonstrate room temperature electron mobilities of 150 cm{sup 2} V{sup −1} s{sup −1} in films grown on PrScO{sub 3}. The results open up a wide range of opportunities for future electronic devices.

Magnetic features in REMeO{sub 3} perovskites and their solid solutions (RE=rare-earth, Me=Mn, Cr)

Energy Technology Data Exchange (ETDEWEB)

Moure, Carlos, E-mail: cmoure@icv.csic.es [Instituto de Cerámica y Vidrio, CSIC, Electroceramics Department, Kelsen No. 5, 28049 Cantoblanco, Madrid (Spain); Peña, Octavio [Institut des Sciences Chimiques de Rennes, UMR 6226, Université de Rennes 1, 35042 Rennes (France)

2013-07-15

Magnetic hysteresis displacement, thermal inversion of the magnetization, hysteresis loops jumps and crossing branches of hysteresis loops at low magnetic fields are reviewed. Most of these phenomena have been observed in magnetic oxide systems, particularly in perovskite-type manganites and chromites. The paper takes into account structural considerations and different geometrical parameters, such as volume or thin layers. - Highlights: ►Review of both spin reversal phenomena thermal and displacive. ► Study of the crossing branches of the magnetic hysteresis loops. ► Review of the behavior of some stepped hysteresis loops.

Phase diagram and EXAFS study of La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 sub - sub x Ba sub x MnO sub 3 manganites

CERN Document Server

Ulyanov, A N; Yang, D S

2003-01-01

The phase diagram and local structure of La sub 0 sub . sub 7 Ca sub 0 sub . sub 3 sub - sub x Ba sub x MnO sub 3 (x=0; 0.03; 0.06; ... 0.3) lanthanum manganites were studies. The Curie temperature, T sub c , of the compositions showed a sharp change near the concentrational structural orthorhombic-rhombohedral phase transition. Maximums of dispersion, sigma sub M sub n sub - sub O sup 2 , and asymmetry, sigma M sub n sub - sub O sup 3 , of pair distribution function for the Mn-O bond distances of MnO sub 6 octahedron on x-dependence were observed by extended X-ray absorption fine structure (EXAFS) analysis. The maximum of sigma sub M sub n sub - sub O sup 2 is caused by increase of dynamic rms displacements of Mn-O bond distances near the T sub c. The observed x dependence of sigma sub M sub n sub - sub O sup 3 reflects the reduction of charge carriers mobility at approaching to T sub c. (author)

Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation

KAUST Repository

Silver, Scott

2018-02-13

This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.

Electronically conductive perovskite-based oxide nanoparticles and films for optical sensing applications

Science.gov (United States)

Ohodnicki, Jr., Paul R; Schultz, Andrew M

2015-04-28

The disclosure relates to a method of detecting a change in a chemical composition by contacting a electronically conducting perovskite-based metal oxide material with a monitored stream, illuminating the electronically conducting perovskite-based metal oxide with incident light, collecting exiting light, monitoring an optical signal based on a comparison of the incident light and the exiting light, and detecting a shift in the optical signal. The electronically conducting perovskite-based metal oxide has a perovskite-based crystal structure and an electronic conductivity of at least 10.sup.-1 S/cm, where parameters are specified at the gas stream temperature. The electronically conducting perovskite-based metal oxide has an empirical formula A.sub.xB.sub.yO.sub.3-.delta., where A is at least a first element at the A-site, B is at least a second element at the B-site, and where 0.8perovskite-based oxides include but are not limited to La.sub.1-xSr.sub.xCoO.sub.3, La.sub.1-xSr.sub.xMnO.sub.3, LaCrO.sub.3, LaNiO.sub.3, La.sub.1-xSr.sub.xMn.sub.1-yCr.sub.yO.sub.3, SrFeO.sub.3, SrVO.sub.3, La-doped SrTiO.sub.3, Nb-doped SrTiO.sub.3, and SrTiO.sub.3-.delta..

Conducting tin halides with a layered organic-based perovskite structure

Science.gov (United States)

Mitzi, D. B.; Feild, C. A.; Harrison, W. T. A.; Guloy, A. M.

1994-06-01

THE discovery1 of high-temperature superconductivity in layered copper oxide perovskites has generated considerable fundamental and technological interest in this class of materials. Only a few other examples of conducting layered perovskites are known; these are also oxides such as (La1-xSrx)n+1 MnnO3n+1 (ref. 2), Lan+1NinO3n+1 (ref. 3) and Ban+1PbnO3n+1 (ref. 4), all of which exhibit a trend from semiconducting to metallic behaviour with increasing number of perovskite layers (n). We report here the synthesis of a family of organic-based layered halide perovskites, (C4H9NH3)2(CH3NH3)n-1Snnl3n+1 which show a similar transition from semiconducting to metallic behaviour with increasing n. The incorporation of an organic modulation layer between the conducting tin iodide sheets potentially provides greater flexibility for tuning the electrical properties of the perovskite sheets, and we suggest that such an approach will prove valuable for exploring the range of transport properties possible with layered perovskites.

Electrochemical performance of BaSnO3 anode material for lithium-ion battery prepared by molten salt method

CSIR Research Space (South Africa)

Nithyadharseni, P

2016-01-01

Full Text Available Perovskite-like structure BaSnO(sub3) ceramic oxide has been prepared by low temperature molten salt method using KOH as a flux and Ba(OH)(sub2) and BaCl(sub2) as precursors. The as-prepared compounds were characterized by various techniques...

Inhomogeneity in the spin channel of ferromagnetic CMR manganites

Energy Technology Data Exchange (ETDEWEB)

Heffner, R.H.; Sonier, J.E.; MacLaughlin, D.E.; Nieuwenhuys, G.J.; Mezei, F.; Ehlers, G.; Mitchell, J.F.; Cheong, S.-W

2003-02-01

Colossal magnetoresistance manganites are archetypes in which to study the strong coupling between spin, charge and lattice degrees of freedom in materials. We present muon spin-lattice relaxation data in ferromagnetic (FM) ground state materials from the manganite series La{sub 1-x}Ca{sub x}MnO{sub 3} and La{sub 1-x-y}Pr{sub y}Ca{sub x}MnO{sub 3}. These measurements reveal several characteristic relaxation modes arising from the strong spin-charge-lattice interactions. We also present results from neutron-spin-echo spectroscopy, which directly measures the spin-spin correlation function in a time domain comparable to {mu}SR. A qualitative model for the FM transition in the manganites involving microscopic phase separation is suggested by these data.

A novel layered perovskite cathode for proton conducting solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China); Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States); Liu, Xingqin; Meng, Guangyao [Department of Materials Science and Engineering, University of Science and Technology of China (USTC), Hefei 230026 (China)

2010-02-01

BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7) exhibits adequate proton conductivity as well as sufficient chemical and thermal stability over a wide range of SOFC operating conditions, while layered SmBa{sub 0.5}Sr{sub 0.5}Co{sub 2}O{sub 5+{delta}} (SBSC) perovskite demonstrates advanced electrochemical properties based on doped ceria electrolyte. This research fully takes advantage of these advanced properties and develops novel protonic ceramic membrane fuel cells (PCMFCs) of Ni-BZCY7 vertical stroke BZCY7 vertical stroke SBSC. The results show that the open-circuit potential of 1.015 V and maximum power density of 533 mW cm{sup -2} are achieved at 700 C. With temperature increase, the total cell resistance decreases, among which electrolyte resistance becomes increasingly dominant over polarization resistance. The results also indicate that SBSC perovskite cathode is a good candidate for intermediate temperature PCMFC development, while the developed Ni-BZCY7 vertical stroke BZCY7 vertical stroke SBSC cell is a promising functional material system for next generation SOFCs. (author)

Variations of force constants, M-O distances and bond order in solid solutions between Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S; Fadini, A [Tuebingen Univ. (Germany, F.R.). Inst. fuer Chemie

1977-12-01

In solid solutions between the 1:1 ordered perovskites Ba/sub 2/MgUO/sub 6/ and Ba/sub 2/MgWO/sub 6/ (system Ba/sub 2/MgUsub(1-x)Wsub(x)O/sub 6/) the force constants of the UO/sub 6/ and WO/sub 6/ octahedras are variied. The valence force constants fsub(MO) tend to adjust for each x. The bond order and the M-O distances are reported as well.

Facile synthesis of Ca-doped manganite nanoparticles by a nonaqueous sol-gel method and their magnetic properties

International Nuclear Information System (INIS)

Zhou, S.M.; Zhao, S.Y.; He, L.F.; Guo, Y.Q.; Shi, L.

2010-01-01

Perovskite manganite La 1-x Ca x MnO 3 (x=1/3, 1/2 and 2/3) nanoparticles with the average particle size of about 20 nm have been synthesized by a facile nonaqueous sol-gel method using methanol as a solvent and characterized by X-ray diffraction, transmission electron microscopy and superconducting quantum interference device magnetometer. Magnetic measurements reveal that although their bulk counterparts have quite different magnetic ground states, the three-nanosized samples exhibit similar ferromagnetic behaviors below about 270 K. This result implies that with the particle size reduced to nanoscale, the ferromagnetism for x=1/3 is weaken, while it is enhanced, accompanied by the suppression of the charge ordering, for x=1/2 and 2/3. Moreover, the exchange bias phenomena are observed in the two latter nanoparticles, which is of special interest for potential applications.

Phase Transition Control for High Performance Ruddlesden-Popper Perovskite Solar Cells

KAUST Repository

Zhang, Xu; Munir, Rahim; Xu, Zhuo; Liu, Yucheng; Tsai, Hsinhan; Nie, Wanyi; Li, Jianbo; Niu, Tianqi; Smilgies, Detlef-M.; Kanatzidis, Mercouri G.; Mohite, Aditya D.; Zhao, Kui; Amassian, Aram; Liu, Shengzhong Frank

2018-01-01

Ruddlesden-Popper reduced-dimensional hybrid perovskite (RDP) semiconductors have attracted significant attention recently due to their promising stability and excellent optoelectronic properties. Here, the RDP crystallization mechanism in real time from liquid precursors to the solid film is investigated, and how the phase transition kinetics influences phase purity, quantum well orientation, and photovoltaic performance is revealed. An important template-induced nucleation and growth of the desired (BA)(MA)PbI phase, which is achieved only via direct crystallization without formation of intermediate phases, is observed. As such, the thermodynamically preferred perpendicular crystal orientation and high phase purity are obtained. At low temperature, the formation of intermediate phases, including PbI crystals and solvate complexes, slows down intercalation of ions and increases nucleation barrier, leading to formation of multiple RDP phases and orientation randomness. These insights enable to obtain high quality (BA)(MA)PbI films with preferentially perpendicular quantum well orientation, high phase purity, smooth film surface, and improved optoelectronic properties. The resulting devices exhibit high power conversion efficiency of 12.17%. This work should help guide the perovskite community to better control Ruddlesden-Popper perovskite structure and further improve optoelectronic and solar cell devices.

Phase Transition Control for High Performance Ruddlesden-Popper Perovskite Solar Cells

KAUST Repository

Zhang, Xu

2018-04-03

Ruddlesden-Popper reduced-dimensional hybrid perovskite (RDP) semiconductors have attracted significant attention recently due to their promising stability and excellent optoelectronic properties. Here, the RDP crystallization mechanism in real time from liquid precursors to the solid film is investigated, and how the phase transition kinetics influences phase purity, quantum well orientation, and photovoltaic performance is revealed. An important template-induced nucleation and growth of the desired (BA)(MA)PbI phase, which is achieved only via direct crystallization without formation of intermediate phases, is observed. As such, the thermodynamically preferred perpendicular crystal orientation and high phase purity are obtained. At low temperature, the formation of intermediate phases, including PbI crystals and solvate complexes, slows down intercalation of ions and increases nucleation barrier, leading to formation of multiple RDP phases and orientation randomness. These insights enable to obtain high quality (BA)(MA)PbI films with preferentially perpendicular quantum well orientation, high phase purity, smooth film surface, and improved optoelectronic properties. The resulting devices exhibit high power conversion efficiency of 12.17%. This work should help guide the perovskite community to better control Ruddlesden-Popper perovskite structure and further improve optoelectronic and solar cell devices.

Electron microscopy and diffraction of barium-lanthanum ferrites: Ba/sub x/La/sub 1-x/FeO/sub 3-y/

Energy Technology Data Exchange (ETDEWEB)

Parras, M.; Vallet-Regi, M.; Gonzalez-Calbet, J.M.; Alario-Franco, M.; Grenier, J.C.

1988-05-01

The system formed by Ba/sub 2/Fe/sub 2/O/sub 5/ and LaFeO/sub 3/ has been studied at the microstructural level. Four different phases, which are metrical multiples of the perovskite cubic cell, appear as a function of the Ba/La ratio. Their microstructure ranges from three-dimensional multitwinning, as in LaFeO/sub 3/, to an apparently stoichiometric line phase of Ba/sub 2/Fe/sub 2/O/sub 5/ composition with parameters a = 23.40(1) A, b = 11.71(1) A, c = 7.05(1) A, and ..beta.. = 98/sup 0/3(1)'. For 0 < x < 0.25, cubic regions appear within a LaFeO/sub 3/ matrix. When x = 0.33, a double perovskite cell is intergrown with a single one. Such a single cubic perovskite is the only phase obtained in the 0.33 < x < 0.66 range.

Adsorption of molecular additive onto lead halide perovskite surfaces: A computational study on Lewis base thiophene additive passivation

Science.gov (United States)

Zhang, Lei; Yu, Fengxi; Chen, Lihong; Li, Jingfa

2018-06-01

Organic additives, such as the Lewis base thiophene, have been successfully applied to passivate halide perovskite surfaces, improving the stability and properties of perovskite devices based on CH3NH3PbI3. Yet, the detailed nanostructure of the perovskite surface passivated by additives and the mechanisms of such passivation are not well understood. This study presents a nanoscopic view on the interfacial structure of an additive/perovskite interface, consisting of a Lewis base thiophene molecular additive and a lead halide perovskite surface substrate, providing insights on the mechanisms that molecular additives can passivate the halide perovskite surfaces and enhance the perovskite-based device performance. Molecular dynamics study on the interactions between water molecules and the perovskite surfaces passivated by the investigated additive reveal the effectiveness of employing the molecular additives to improve the stability of the halide perovskite materials. The additive/perovskite surface system is further probed via molecular engineering the perovskite surfaces. This study reveals the nanoscopic structure-property relationships of the halide perovskite surface passivated by molecular additives, which helps the fundamental understanding of the surface/interface engineering strategies for the development of halide perovskite based devices.

In- and Ga-based inorganic double perovskites with direct bandgaps for photovoltaic applications.

Science.gov (United States)

Dai, Jun; Ma, Liang; Ju, Minggang; Huang, Jinsong; Zeng, Xiao Cheng

2017-08-16

Double perovskites in the form of A 2 B'B''X 6 (A = Cs, B' = Ag, B'' = Bi) have been reported as potential alternatives to lead-containing organometal trihalide perovskites. However, all double perovskites synthesized to date exhibit indirect bandgaps >1.95 eV, which are undesirable for photovoltaic and optoelectronic applications. Herein, we report a comprehensive computer-aided screening of In- and Ga-based double perovskites for potential photovoltaic applications. To this end, several preconditions are implemented for the screening of optimal candidates, which include structural stability, electronic bandgaps, and optical absorption. Importantly, four In- and Ga-based double perovskites are identified to possess direct bandgaps within the desirable range of 0.9-1.6 eV for photovoltaic applications. Dominant optical absorption of the four double perovskites is found to be in the UV range. The structural and thermal stability of the four double perovskites are examined using both the empirical Goldschmidt ratio and convex-hull calculations. Only Cs 2 AgInBr 6 is predicted to be thermodynamically stable.

Ionic behavior of organic-inorganic metal halide perovskite based metal-oxide-semiconductor capacitors.

Science.gov (United States)

Wang, Yucheng; Zhang, Yuming; Pang, Tiqiang; Xu, Jie; Hu, Ziyang; Zhu, Yuejin; Tang, Xiaoyan; Luan, Suzhen; Jia, Renxu

2017-05-24

Organic-inorganic metal halide perovskites are promising semiconductors for optoelectronic applications. Despite the achievements in device performance, the electrical properties of perovskites have stagnated. Ion migration is speculated to be the main contributing factor for the many unusual electrical phenomena in perovskite-based devices. Here, to understand the intrinsic electrical behavior of perovskites, we constructed metal-oxide-semiconductor (MOS) capacitors based on perovskite films and performed capacitance-voltage (C-V) and current-voltage (I-V) measurements of the capacitors. The results provide direct evidence for the mixed ionic-electronic transport behavior within perovskite films. In the dark, there is electrical hysteresis in both the C-V and I-V curves because the mobile negative ions take part in charge transport despite frequency modulation. However, under illumination, the large amount of photoexcited free carriers screens the influence of the mobile ions with a low concentration, which is responsible for the normal C-V properties. Validation of ion migration for the gate-control ability of MOS capacitors is also helpful for the investigation of perovskite MOS transistors and other gate-control photovoltaic devices.

Performance and Stability Enhancement of Perovskite-Type Nanomaterials Applied for Carbon Capture Utilizing Oxyfuel Combustion

Directory of Open Access Journals (Sweden)

Qiuwan Shen

2017-02-01

Full Text Available A new series of Ba-Co-Operovskite-type oxygen carriers has been successfully synthesized by the microwave-assisted sol-gel method and further applied for producing an O2/CO2 mixture gas. The oxygen adsorption/desorption performance of synthesized samples was studied in a fixed-bed reactor system. Effects of A/B-site substitution on the oxygen desorption performance of Ba-Co-O–based perovskites are also included. Furthermore, the effects of operating conditions including the adsorption time and temperature as well as the desorption temperature on oxygen production performance were investigated in detail. The results indicated that BaCoO3-δ exhibited an excellent oxygen desorption performance among the synthesized A/B-site–substituted ACoO3-δ and BaBO3-δ samples, and that the optimal adsorption time, adsorption temperature and desorption temperatureforBaCoO3-δ were determined to be 20min, 850◦Cand850◦C, respectively, in this study.

Application of the Rietveld method in powders of strontium-doped lanthanum manganite calcined in different temperatures

International Nuclear Information System (INIS)

Chiba, R.; Vargas, R.A.; Martinez, L.G.; Andreoli, M.; Seo, E.S.M.

2010-01-01

The strontium-doped lanthanum manganite (LSM) is a ceramic material used as cathode in device called High Temperature Solid Oxide Fuel Cell. In this work, the LSM was synthesized by the citrate technique with the objective to get powders without the formation of secondary phases, such as lanthanum oxide and the lanthanum hydroxide, harmful for the functional performance of the device. The definitive calcination temperatures had been 700, 900 and 1100 deg C, due the decomposition of the polymeric precursors to present stabilization from 480 deg C. The analysis by X-ray diffraction of the calcined powders in different temperatures shows the formation only of phase LSM of hexagonal crystalline structure, type pseudo-perovskite. Using the refinement of Rietveld was determined the parameters and volumes of unity cells, atomic positions and occupations. These results confirm that the chemical compositions obtained are similar to the nominal. (author)

Synthesis and characterization of the double perovskite BaSrCoFe{sub 1}-{sub x}Ni{sub x}O{sub 5.5} like cathode for solid oxide fuel cells; Sintesis y caracterizacion de la doble perovskita BaSrCoFe{sub 1}-{sub x}Ni{sub x}O{sub 5.5} como catodo para celdas SOFC

Energy Technology Data Exchange (ETDEWEB)

Alvarado F, J.; Avalos R, L.; Viramontes G, G. [Universidad Michoacana de San Nicolas de Hidalgo, Facultad de Ingenieria Electrica, Santiago Tapia 403, Morelia 58030, Michoacan (Mexico); Reyes R, A. [Centro de Investigacion en Materiales Avanzados, Laboratorio Nacional de Nanotecnologia, Miguel de Cervantes 120, Complejo Industrial Chihuahua, Chihuahua 31109, Chihuahua (Mexico)

2013-08-01

Have been synthesized via sol-gel method and characterized by X-ray diffraction, electrical conductivity and thermal expansion coefficient, new material composites BaSrCoFe{sub 1{sub x}}Ni{sub x}O{sub 5.5} (double perovskite type) with the addition of Ni in solid solution Ni{sub x} (x = 0.025, 0.05, 0.075, 0.1 and 0.2), as alternative cathodes for solid oxide fuel cells of intermediate temperature (Sofc-It). X-ray diffraction confirmed the formation of the tetragonal structure perovskite phase BaSrCoFe{sub 1}-{sub x}Ni{sub x}O{sub 5.5}, with the presence of small peaks identified in 2{theta} values below 30 degrees as BaCO{sub 3} and CoFe{sub 2}O{sub 4}. The electrical conductivity increases with the temperature between 350-470 degrees C and then decreases due to the loss of oxygen in the net, which causes differences in conductivity. Semiconductor behavior was obtained in all compositions. Thermal expansion coefficient determination, showed a linear dependence inversely proportional to the concentration of Ni. Our results of electrical conductivity and thermal expansion coefficient, reach to the conclusion that the cathodes between 0.1 and 0.2 Ni, have the greatest possibility for application in Sofc-It. (Author)

Structural, magnetic and electric behavior of the new Ba{sub 2}TiMoO{sub 6} material

Energy Technology Data Exchange (ETDEWEB)

Alarcon-Suesca, C.E. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, Carrera 30 calle 45, Bogota D.C., AA 5997 (Colombia); Chemistry Department, Technische Universitaet Muenchen, Lichtenbergstrasse, D-85748 Garching (Germany); Opel, M. [Walther-Meissner-Institut, Bayerische Akademie der Wissenschaften, D-85748 Garching (Germany); TellezLandinez Tellez, D.A. [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, Carrera 30 calle 45, Bogota D.C., AA 5997 (Colombia); Roa-Rojas, J., E-mail: jroar@unal.edu.co [Grupo de Fisica de Nuevos Materiales, Departamento de Fisica, Universidad Nacional de Colombia, Carrera 30 calle 45, Bogota D.C., AA 5997 (Colombia)

2012-08-15

We report synthesis and characterization of the structural, morphologic and ferroelectric behavior of the complex perovskite Ba{sub 2}TiMoO{sub 6}. Samples of Ba{sub 2}TiMoO{sub 6} were synthesized through standard solid state reaction methods. Crystalline structure was studied by means of X-ray diffraction experiments and Rietveld-like analysis. Results reveal that material crystallizes in a tetragonal structure, space group P4/mnm (no. 123), with cell parameters a=3.8557 A and c=11.8678 A. The tolerance factor of perovskite was determined to be 1.04. Surface morphology was examined using Scanning Electron Microscopy, which shows the micrometric granular character of samples with 1.0-5.0 {mu}m mean grain size. Ferroelectric response of material was established from curves of polarization as a function of applied electric field. Our results reveal that Ba{sub 2}TiMoO{sub 6} double perovskite evidences a ferroelectric hysteretic behavior at ambient temperature and paramagnetic ordering. Copyright-Sign 2011 Elsevier Science. All rights reserved.

Conduction mechanism, impedance spectroscopic investigation and dielectric behavior of La0.5Ca0.5-xAgxMnO3 manganites with compositions below the concentration limit of silver solubility in perovskites (0 ≤ x ≤ 0.2).

Science.gov (United States)

Rahmouni, H; Smari, M; Cherif, B; Dhahri, E; Khirouni, K

2015-06-14

This study presents the electrical properties, complex impedance analysis and dielectrical behavior of La0.5Ca0.5-xAgxMnO3 manganites with compositions below the concentration limit of silver solubility in perovskites (0 ≤ x ≤ 0.2). Transport measurements indicate that all the samples have a semiconductor-like behavior. The metal-semiconductor transition is not observed across the whole temperature range explored [80 K-700 K]. At a specific temperature, a saturation region was marked in the σ (T) curves. We obtained a maximum σdc value at ambient temperature with the introduction of 20% Ag content. Two hopping models were applied to study the conduction mechanism. We found that activation energy (Ea) related to ac-conductivity is lower than the Ea implicated in dc-conductivity. Complex impedance analysis confirms the contribution of grain boundary to conductivity and permits the attribution of grain boundary capacitance evolution to the temperature dependence of the barrier layer width. From the temperature dependence of the average normalized change (ANC), we deduce the temperature at which the available density of trapped charge states vanishes. Such a temperature is close to the temperature at which the saturation region appears in σ(T) curves. Moreover, complex impedance analysis (CIA) indicates the presence of electrical relaxation in materials. It is noteworthy that relaxation species such as defects may be responsible for electrical conduction. The dielectric behavior of La0.5Ca0.5-xAgxMnO3 manganites has a Debye-like relaxation with a sharp decrease in the real part of permittivity at a frequency where the imaginary part of permittivity (ε'') and tg δ plots versus frequency demonstrate a relaxation peak. The Debye-like relaxation is explained by Maxwell-Wagner (MW) polarization. Experimental results are found to be in good agreement with the Smit and Wijn theory.

(Ba+Sr)/Ti ratio dependence of the dielectric properties for (Ba0.5Sr0.5)TiO3 thin films prepared by ion beam sputtering

Science.gov (United States)

Yamamichi, Shintaro; Yabuta, Hisato; Sakuma, Toshiyuki; Miyasaka, Yoichi

1994-03-01

(Ba0.5Sr0.5)TiO3 thin films were prepared by ion beam sputtering from powder targets with (Ba+Sr)/Ti ratios ranging from 0.80 to 1.50. All of the perovskite (Ba,Sr)TiO3 films were single phase except for the film with a (Ba+Sr)/Ti ratio of 1.41. The dielectric constant values notably depended on the (Ba+Sr)/Ti ratio for films thicker than 70 nm. The highest dielectric constant of 580 was achieved for the 5% (Ba+Sr) rich film. This (Ba+Sr)/Ti ratio dependence was diminished by the thickness dependence for thinner films. The grain sizes for the 9% (Ba+Sr) rich film and for the 6% (Ba+Sr) poor film ranged from 70 to 100 nm and from 30 to 60 nm, respectively. This grain size difference could explain why slightly A-site rich (Ba,Sr)TiO3 films have a larger dielectric constant than A-site poor films.

Recurrent intergrowths in the topotactic reduction process of LaBaCuCoO5.2.

Science.gov (United States)

Ruiz-González, Luisa; Boulahya, Khalid; Parras, Marina; Alonso, José; González-Calbet, José M

2002-12-16

A new perovskite-related oxide with the LaBaCuCoO5.2 composition has been stabilised. Its structure can be described as formed by the recurrent intergrowth of two alternating blocks of YBaCuFeO5 (2ac, i.e., two-fold perovskite superlattice) and YBa2Fe3O8 (3ac) structural types. From the starting material LaBaCuCoO5.2-delta (delta = 0), the rigorous control of the oxygen content has allowed the stabilisation of three new five fold perovskite-related superstructures with the compositions delta = 0.4, 0.8 and 1.1, which can also be described as recurrent intergrowths of two blocks showing 2ac and 3ac periodicity. The reduction process takes place through the 3ac periodic blocks, when 0 topotactic reaction, since their basic structure is kept through the reduction process.

A novel zincum-doped perovskite-type ceramic membrane for oxygen separation

Energy Technology Data Exchange (ETDEWEB)

Chen Xinzhi; Liu Hongfei; Wei Yanying [School of Chemistry and Chemical Engineering, South China University of Technology, No. 381 Wushan Road, 510640 Guangzhou (China); Caro Juergen [Institute of Physical Chemistry and Electrochemistry, Leibniz University Hannover, Callinstr. 3-3A D-30179 Hannover (Germany); Wang Haihui, E-mail: hhwang@scut.edu.c [School of Chemistry and Chemical Engineering, South China University of Technology, No. 381 Wushan Road, 510640 Guangzhou (China)

2009-09-18

Zincum-doped ceramic membrane materials based on BaCo{sub 0.4}Fe{sub 0.4}Zn{sub x}Zr{sub (0.2-x)}O{sub 3-delta} with 0 <= x <= 0.2 were synthesized by combining citric acid and ethylene-diamine-tetraacetic acid (EDTA) complexing method. X-ray diffraction (XRD) patterns show that the BaCo{sub 0.4}Fe{sub 0.4}Zn{sub 0.2}O{sub 3-delta} ceramic oxide exhibits a pure cubic perovskite structure. Oxygen temperature-programmed desorption (O{sub 2}-TPD) profile indicates that BaCo{sub 0.4}Fe{sub 0.4}Zn{sub 0.2}O{sub 3-delta} possesses a good phase reversibility. An oxygen permeation flux of 0.65 ml/min cm{sup 2} was obtained at 950 deg. C and a single activation energy of 67 kJ/mol was observed for the oxygen permeation in the temperature range of 600-950 deg. C. No decline was found during more than 100 h oxygen permeation.

Peculiar ferromagnetic insulator state in the low-hole-doped manganites

International Nuclear Information System (INIS)

Algarabel, P.A.; Teresa, J.M. de; Blasco, J.; Ibarra, M.R.; Kapusta, Cz.; Sikora, M.; Zajac, D.; Riedi, P.C.; Ritter, C.

2003-01-01

In this work we show the very different nature of the ferromagnetic state of the low-hole-doped manganites with respect to other manganites showing colossal magnetoresistance. High-field measurements definitively prove the coexistence of ferromagnetic-metallic and ferromagnetic-insulating regions even when the sample is magnetically saturated, with the ground state being inhomogeneous. We have investigated La 0.9 Ca 0.1 MnO 3 as a prototype compound. A wide characterization by means of magnetic and magnetotransport measurements, neutron diffraction, small-angle neutron scattering, and nuclear magnetic resonance has allowed us to establish that the ground state is based on the existence of disordered nanometric double-exchange metallic clusters that coexist with long-range superexchange-based ferromagnetic insulating regions. Under high magnetic field the system reaches magnetization saturation by aligning the magnetic clusters and the insulating matrix, but even if they grow in size, they do not reach the percolation limit

Multifunctional optoelectronic devices based on perovskites

KAUST Repository

Saidaminov, Makhsud I.; Bakr, Osman

2017-01-01

Embodiments of the present disclosure provide methods of growing halide films (e.g., single crystal halide perovskites or multi-crystal halide perovskites) on a structure, dual-mode photodetectors, methods of use, and the like.

Multifunctional optoelectronic devices based on perovskites

KAUST Repository

Saidaminov, Makhsud I.

2017-10-19

Embodiments of the present disclosure provide methods of growing halide films (e.g., single crystal halide perovskites or multi-crystal halide perovskites) on a structure, dual-mode photodetectors, methods of use, and the like.

Double perovskites with strong spin-orbit coupling

Science.gov (United States)

Cook, Ashley M.

We first present theoretical analysis of powder inelastic neutron scattering experiments in Ba2FeReO6 performed by our experimental collaborators. Ba2FeReO6, a member of the double perovskite family of materials, exhibits half-metallic behavior and high Curie temperatures Tc, making it of interest for spintronics applications. To interpret the experimental data, we develop a local moment model, which incorporates the interaction of Fe spins with spin-orbital locked magnetic moments on Re, and show that it captures the experimental observations. We then develop a tight-binding model of the double perovskite Ba 2FeReO6, a room temperature ferrimagnet with correlated and spin-orbit coupled Re t2g electrons moving in the background of Fe moments stabilized by Hund's coupling. We show that for such 3d/5d double perovskites, strong correlations on the 5d-element (Re) are essential in driving a half-metallic ground state. Incorporating both strong spin-orbit coupling and the Hubbard repulsion on Re leads to a band structure consistent with ab initio calculations. The uncovered interplay of strong correlations and spin-orbit coupling lends partial support to our previous work, which used a local moment description to capture the spin wave dispersion found in neutron scattering measurements. We then adapt this tight-binding model to study {111}-grown bilayers of half-metallic double perovskites such as Sr2FeMoO6. The combination of spin-orbit coupling, inter-orbital hybridization and symmetry-allowed trigonal distortion leads to a rich phase diagram with tunable ferromagnetic order, topological C= +/-1, +/-2 Chern bands, and a C = +/-2 quantum anomalous Hall insulator regime. We have also performed theoretical analysis of inelastic neutron scattering (INS) experiments to investigate the magnetic excitations in the weakly distorted face-centered-cubic (fcc) iridate double perovskites La2ZnIrO 6 and La2MgIrO6. Models with dominant Kitaev exchange seem to most naturally

High performance photodetector based on 2D CH3NH3PbI3 perovskite nanosheets

International Nuclear Information System (INIS)

Li, Pengfei; Shivananju, B N; Li, Shaojuan; Bao, Qiaoliang; Zhang, Yupeng

2017-01-01

In this work, a high performance vertical-type photodetector based on two-dimensional (2D) CH 3 NH 3 PbI 3 perovskite nanosheets was fabricated. The low trap density of the perovskite nanosheets and their short carrier diffusion distance result in a significant performance enhancement of the perovskite-based photodetector. The photoresponsivity of this vertical-type photodetector is as high as 36 mA W −1 at visible wavelength, which is much better than traditional perovskite photodetectors (0.34 mA W −1 ). Compared with traditional planar-type perovskite-based photodetectors, this vertical-type photodetector also shows the advantages of low-voltage operation and large responsivity. These results may pave the way for exploiting high performance perovskite-based photodetectors with an ingenious device design. (paper)

Magnetic and Transport Properties of Heterostructured Films of Prussian Blue Analogues and Manganites

Science.gov (United States)

Quintero, P. A.; Jeen, H.; Knowles, E. S.; Biswas, A.; Meisel, M. W.; Andrus, M. J.; Talham, D. R.

2011-03-01

The magnetic and transport properties of heterostructured films consisting of Prussian blue analogues, Aj M' k [M(CN)6 ]l . n H2 O (M' M-PBA), where A is an alkali ion and M' ,M are transition metals, and manganites have been studied. Specifically, NiCr-PBA and CoFe-PBA films of ~ 100 ~nm thickness have been deposited on perovskite (La 1-y Pr y)0.67 Ca 0.33 Mn O3 (LPCMO) manganese films of ~ 30 ~nm thickness. The effect of the ferromagnetic NiCr-PBA, Tc ~ 70 ~K, and the photo-controllable ferrimagnetic CoFe-PBA, Tc ~ 20 ~K, on the I-V properties of the LPCMO will be reported, where special attention will be given to the changes of the transition temperatures of the ferromagnetic metallic (FMM) and the charge-ordered insulating (COI) phases in the LPCMO substrate. ** Supported by NSF DMR-0701400 (MWM), DMR-0804452 (AB), DMR-1005581 (DRT), DMR-0654118 (NHMFL), and by scholarship from the Organization of American States (PAQ). D.M.~Pajerowski et al., J.~Am.~Chem. Soc. 132 (2010) 4058.

Experimental investigation of temperature dependence of the magnetic susceptibility (T) of manganites La1-xAxMnO3

International Nuclear Information System (INIS)

Salakhitdinova, M.; Kuvandikov, O.; Shakarov, Kh.; Shodiev, Z.

2007-01-01

Full text: he interest to lanthanoid manganites is based that enormous magnetoresistance is found in them and this materials are capable to test diverse structural and magnetic phase transformations. The work is devoted to experimental investigation of temperature dependence of the magnetic susceptibility (T) of manganites La 1-x A x MnO 3 which doped with Ag, K, Sr metals in wide temperature interval 50-8500 C, as well as to determination of their magnetic characteristics from this dependence. The dependence (T) was measured by the Faraday method with high-temperature magnetic pendulum balance in the atmosphere of refined helium. Maximal relative error of the measurements did not exceed 3 %. The analysis of experimental (T) dependence of investigated manganites has shown that the rise of stoichiometric rate of doped metals the temperature dependence of magnetic susceptibility of manganites monotonously is decreased. (authors)

Structural, electronic, optical and thermoelectric investigations of antiperovskites A3SnO (A = Ca, Sr, Ba) using density functional theory

Science.gov (United States)

Hassan, M.; Shahid, A.; Mahmood, Q.

2018-02-01

Density functional theory study of the structural, electrical, optical and thermoelectric behaviors of very less investigated anti-perovskites A3SnO (A = Ca, Sr, Ba) is performed with FP-LAPW technique. The A3SnO exhibit narrow direct band gap, in contrast to the wide indirect band gap of the respective perovskites. Hence, indirect to direct band gap transformation can be realized by the structural transition from perovskite to anti-perovskite. The p-p hybridization between A and O states result in the covalent bonding. The transparency and maximum reflectivity to the certain energies, and the verification of the Penn's model indicate potential optical device applications. Thermoelectric behaviors computed within 200-800 K depict that Ca3SnO exhibits good thermoelectric performance than Ba3SnO and Sr3SnO, and all three operate at their best at 800 K suggesting high temperature thermoelectric device applications.

BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.1}Yb{sub 0.1}O{sub 3-{delta}} electrolyte-based solid oxide fuel cells with cobalt-free PrBaFe{sub 2}O{sub 5+{delta}} layered perovskite cathode

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-10-15

A new anode-supported SOFC material system Ni-BZCYYb vertical stroke BZCYYb vertical stroke PBFO is investigated, in which a cobalt-free layered perovskite oxide, PrBaFe{sub 2}O{sub 5+{delta}} (PBFO), is synthesized and employed as a novel cathode while the synthesized BZCYYb is used as an electrolyte. The cell is fabricated by a simple dry-pressing/co-sintering process. The cell is tested and characterized under intermediate temperature range from 600 to 700 C with humified H{sub 2} ({proportional_to}3% H{sub 2}O) as fuel, ambient air as oxidant. The results show that the open-circuit potential of 1.006 V and maximal power density of 452 mW cm{sup -2} are achieved at 700 C. The polarization resistance of the electrodes is 0.18 {omega} cm{sup 2} at 700 C. Compared to BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.1}O{sub 3-{delta}}, the conductivity of co-doped barium zirconate-cerate BZCYYb is significantly improved. The ohmic resistance of single cell is 0.37 {omega} cm{sup 2} at 700 C. The results indicate that the developed Ni-BZCYYb vertical stroke BZCYYb vertical stroke PBFO cell is a promising functional material system for SOFCs. (author)

Interconversion between Free Charges and Bound Excitons in 2D Hybrid Lead Halide Perovskites

OpenAIRE

Gélvez-Rueda, María C.; Hutter, Eline M.; Cao, Duyen H.; Renaud, Nicolas; Stoumpos, Constantinos C.; Hupp, Joseph T.; Savenije, Tom J.; Kanatzidis, Mercouri G.; Grozema, Ferdinand C.

2017-01-01

The optoelectronic properties of hybrid perovskites can be easily tailored by varying their components. Specifically, mixing the common short organic cation (methylammonium (MA)) with a larger one (e.g., butyl ammonium (BA)) results in 2-dimensional perovskites with varying thicknesses of inorganic layers separated by the large organic cation. In both of these applications, a detailed understanding of the dissociation and recombination of electron-hole pairs is of prime importance. In this wo...

Ferromagnetism in manganite s substituted with silver of perovskite structure; Ferromagnetismo en manganitas sustituidas con plata de estructura perovskita

Energy Technology Data Exchange (ETDEWEB)

Hernandez, N.; Hernandez, T.; Dzul, I.; Pena, Y., E-mail: thernang@yahoo.co [Universidad Autonoma de Nuevo Leon, Facultad de Ciencias Quimicas, Laboratorio de Materiales I, Ciudad Universitaria, Av. Pedro de Alba s/n, 66450 San Nicolas de los Garza, Nuevo Leon (Mexico)

2011-07-01

A series of mixed oxides of general formula Sm{sub 1-x}Ag{sub x}MnO{sub 3} with perovskite structure were prepared by first by conventional solid-state reaction processing. The structure, morphology and magnetism of the samples are investigated. The X-ray diffraction patterns show that the x=0.1 sample is a single perovskite structure, while x{>=} 0.2, samples consist of a ferromagnetic perovskite phase and two nonmagnetic phases, Ag and Ag{sub 1.8}Mn{sub 8}O{sub 16}. The ferromagnetic behavior of Sm{sub 1-x}Ag{sub x}MnO{sub 3} decrease with increase of Ag composition. The Sem analysis when x=0.1 revealed that the random distribution of morphology and size of particles result of preparation method. The samples of Sm{sub 1-x}Ag{sub x}MnO{sub 3} by x between 0.1 and 0.5 show that applying 10 T fields these cannot reach a saturation value. (Author)

Study of LnBaCo{sub 2}O{sub 6-d}elta (Ln = Pr, Nd, Sm and Gd) double perovskites as new cathode material for IT-SOFC

Energy Technology Data Exchange (ETDEWEB)

Chavez, E; Mueller, M; Mogni, L; Caneiro, A, E-mail: mogni@cab.cnea.gov.a [Centro Atomico Bariloche-CNEA, Instituto Balseiro. Av. Bustillo 9500, S. C. de Bariloche 8400 (Argentina)

2009-05-01

Oxides with double perovskites structures of general composition LnBaCo{sub 2}O{sub 6-d}elta (Ln = Pr, Nd, Sm and Gd) were synthesized by solid state reaction with the purpose to evaluate new materials to be used as cathodes in intermediate temperature solid oxide fuel cell (IT-SOFC). A preliminary study about electrochemical properties was performed by impedance spectroscopy between 500 and 800 deg. C under atmosphere of pure O{sub 2}. Symmetrical cells were obtained by spray deposition of LnBaCo{sub 2}O{sub 6-d}elta (Ln = Pr, Nd, Sm and Gd) at both sides of a dense ceramic electrolyte. The impedance spectroscopy measurements as a function of temperatures show a hysteresis loop which could be associated to a tetragonal/orthorhombic phase transition. The existence of this transition was corroborated by high temperature X-Ray diffraction and Differential Scanning Calorimetry measurements.

Surface characterization of colossal magnetoresistive manganites La1-xSr xMnO3 using photoelectron spectroscopy

International Nuclear Information System (INIS)

Mannella, N.; Rosenhahn, A.; Nambu, A.; Sell, B.C.; Mun, B.S.; Yang, S.-H.; Marchesini, S.; Watanabe, M.; Ibrahim, K.; Ritchey, S.B.; Tomioka, Y.; Fadley, C.S.

2006-01-01

We have studied the temperature and time dependence of Surface chemical composition and atomic structure of in situ fractured colossal magnetoresistive perovskites La 1-x Sr x MnO (x = 0.3, 0.4) using core-level photoelectron spectroscopy and diffraction, simultaneous with observing marked changes in both core and valence electronic structure on going above the Curie temperature [N. Mannella et al., Phys. Rev. Lett. 92 (2004) 166401]. Stoichiometric analyses via core-level intensity ratios show that the near-surface composition is very nearly the same as that of the nominal (bulk) stoichiometry and further show that, during duration of our experiments, the degree of surface stoichiometry alteration or contamination has been minimal. The effects of photoelectron diffraction on such analyses are also explored. We comment on the degree to which near-surface composition or atomic-structure alterations might influence spectroscopic investigations of these manganites, or other strongly correlated materials

Pseudo Jahn–Teller origin of ferroelectric instability in BaTiO{sub 3} type perovskites: The Green's function approach and beyond

Energy Technology Data Exchange (ETDEWEB)

Polinger, V., E-mail: polinv@uw.edu [Department of Physics, University of Washington, Seattle, WA 98195-1560 (United States); Garcia-Fernandez, P. [Ciencias de la Tierra y Física de la Materia Condensada, Universidad de Cantabria, Avenida de los Castros s/n, E-39005 Santander (Spain); Bersuker, I.B. [Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, TX 78712-0165 (United States)

2015-01-15

The local origin of dipolar distortions in ABO{sub 3} perovskite crystals is reexamined by means of a novel approach, the Green's function method augmented by DFT computations. The ferroelectric distortions are shown to be induced by the pseudo Jahn–Teller effect (PJTE). The latter involves vibronic hybridization (admixture) of the ground state to same-spin opposite-parity excited electronic bands. Similar to numerous molecular calculations, the PJT approach provides a deeper insight into the nature of chemical bonding in the octahedral cluster [BO{sub 6}] and, in particular, reveals the local origin of its polar instability. This allows predicting directly which transition ions can create ferroelectricity. In particular, the necessary conditions are established when an ABO{sub 3} perovskite crystal with an electronic d{sup n} configuration of the complex ion [BO{sub 6}] can possess both proper ferroelectric and magnetic properties. Distinguished from the variety of cluster approaches to local properties, the Green's function method includes the influence of the local vibronic-coupling perturbation on the whole crystal via the inter-cell interaction responsible for creation of electronic and vibrational bands. Calculated Green's functions combined with the corresponding numeric estimates for the nine electronic bands, their density of states, and the local adiabatic potential energy surface (APES) confirm the eight-minimum form of this surface and feasibility of the PJT origin of the polar instability in BaTiO{sub 3}. We show also that multicenter long-range dipole–dipole interactions critically depend on the PJTE largely determining the magnitude of the local dipoles. DFT calculations for the bulk crystal and its clusters confirm that the dipolar distortions are of local origin, but become possible only when their influence on (relaxation of) the whole lattice is taken into account. The results are shown to be in full qualitative and

Refurbished dry methane on catalysts Ni / BaTiO 1x In x o 3d

International Nuclear Information System (INIS)

Garcia, Veronica; Caldes, Maria T; Joubert Olivier

2008-01-01

The effect of the support on the catalytic performance of Ni catalysts in carbon dioxide reforming of methane was studied using perovskite based supports BaTi 1x In x O 3d, known by their ionic and electronic conductivity properties. The results of the investigation showed that there is a close relationship between the catalytic activity and the reducibility of the support.

Yttrium and Nickel Co-Doped BaZrO3 as a Proton-Conducting Electrolyte for Intermediate Temperature Solid Oxide Fuel Cells

KAUST Repository

Shafi, S. P.

2015-07-17

High temperature proton conducting oxides, due to their lower activation energy for proton conduction, can achieve high conductivity at relatively low temperatures (500-700°C). Though BaZr0.8Y0.2O3-δ (BZY) perovskite exhibits good chemical stability and high bulk conductivity, high grain boundary resistance decreases its total conductivity. This work focuses on substitution of Zr4+ with Ni2+ in the perovskite B-site in a targeted fashion in order to promote the sinterability of BZY. Powder X-ray diffraction analysis showed the formation of single phases for Ba0.8-xY0.2NixO3-δ compositions up to x = 0.04. Scanning electron microscopy (SEM) image analysis demonstrated that densification is promoted by increasing the Ni-content, reaching a fully dense microstructure for Ba0.76Y0.2Ni0.04O3-δ (BZYNi04). An anode supported single cell based on BZYNi04 electrolyte showed superior power performance, achieving 240 and 428 mW cm-2 at 600 and 700°C, respectively. © The Electrochemical Society.

Yttrium and Nickel Co-Doped BaZrO3 as a Proton-Conducting Electrolyte for Intermediate Temperature Solid Oxide Fuel Cells

KAUST Repository

Shafi, S. P.; Bi, Lei; Boulfrad, S.; Traversa, Enrico

2015-01-01

High temperature proton conducting oxides, due to their lower activation energy for proton conduction, can achieve high conductivity at relatively low temperatures (500-700°C). Though BaZr0.8Y0.2O3-δ (BZY) perovskite exhibits good chemical stability and high bulk conductivity, high grain boundary resistance decreases its total conductivity. This work focuses on substitution of Zr4+ with Ni2+ in the perovskite B-site in a targeted fashion in order to promote the sinterability of BZY. Powder X-ray diffraction analysis showed the formation of single phases for Ba0.8-xY0.2NixO3-δ compositions up to x = 0.04. Scanning electron microscopy (SEM) image analysis demonstrated that densification is promoted by increasing the Ni-content, reaching a fully dense microstructure for Ba0.76Y0.2Ni0.04O3-δ (BZYNi04). An anode supported single cell based on BZYNi04 electrolyte showed superior power performance, achieving 240 and 428 mW cm-2 at 600 and 700°C, respectively. © The Electrochemical Society.

Perovskites in the comb roof base of hornets : Their possible function

NARCIS (Netherlands)

Ishay, JS; Joseph, Z; Galushko, D; Ermakov, N; Bergman, DJ; Barkay, Z; Stokroos, [No Value; Van der Want, J

2005-01-01

On the ceiling of the Oriental hornet comb cell, there are mineral granules of poly-crystalline material known to belong to the group of perovskites. In a comb cell intended to house a worker hornet, the roof base usually carries one or several such perovskite granules containing titanium (Ti),

Phase Transition Control for High Performance Ruddlesden-Popper Perovskite Solar Cells.

Science.gov (United States)

Zhang, Xu; Munir, Rahim; Xu, Zhuo; Liu, Yucheng; Tsai, Hsinhan; Nie, Wanyi; Li, Jianbo; Niu, Tianqi; Smilgies, Detlef-M; Kanatzidis, Mercouri G; Mohite, Aditya D; Zhao, Kui; Amassian, Aram; Liu, Shengzhong Frank

2018-05-01

Ruddlesden-Popper reduced-dimensional hybrid perovskite (RDP) semiconductors have attracted significant attention recently due to their promising stability and excellent optoelectronic properties. Here, the RDP crystallization mechanism in real time from liquid precursors to the solid film is investigated, and how the phase transition kinetics influences phase purity, quantum well orientation, and photovoltaic performance is revealed. An important template-induced nucleation and growth of the desired (BA) 2 (MA) 3 Pb 4 I 13 phase, which is achieved only via direct crystallization without formation of intermediate phases, is observed. As such, the thermodynamically preferred perpendicular crystal orientation and high phase purity are obtained. At low temperature, the formation of intermediate phases, including PbI 2 crystals and solvate complexes, slows down intercalation of ions and increases nucleation barrier, leading to formation of multiple RDP phases and orientation randomness. These insights enable to obtain high quality (BA) 2 (MA) 3 Pb 4 I 13 films with preferentially perpendicular quantum well orientation, high phase purity, smooth film surface, and improved optoelectronic properties. The resulting devices exhibit high power conversion efficiency of 12.17%. This work should help guide the perovskite community to better control Ruddlesden-Popper perovskite structure and further improve optoelectronic and solar cell devices. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Efficient Planar Structured Perovskite Solar Cells with Enhanced Open-Circuit Voltage and Suppressed Charge Recombination Based on a Slow Grown Perovskite Layer from Lead Acetate Precursor.

Science.gov (United States)

Li, Cong; Guo, Qiang; Wang, Zhibin; Bai, Yiming; Liu, Lin; Wang, Fuzhi; Zhou, Erjun; Hayat, Tasawar; Alsaedi, Ahmed; Tan, Zhan'ao

2017-12-06

For planar structured organic-inorganic hybrid perovskite solar cells (PerSCs) with the poly(3,4-ethylenedioxythiophene:polystyrene sulfonate) (PEDOT:PSS) hole transport layer, the open-circuit voltage (V oc ) of the device is limited to be about 1.0 V, resulting in inferior performance in comparison with TiO 2 -based planar counterparts. Therefore, increasing V oc of the PEDOT:PSS-based planar device is an important way to enhance the efficiency of the PerSCs. Herein, we demonstrate a novel approach for perovskite film formation and the film is formed by slow growth from lead acetate precursor via a one-step spin-coating process without the thermal annealing (TA) process. Because the perovskite layer grows slowly and naturally, high-quality perovskite film can be achieved with larger crystalline particles, less defects, and smoother surface morphology. Ultraviolet absorption, X-ray diffraction, scanning electron microscopy, steady-state fluorescence spectroscopy (photoluminescence), and time-resolved fluorescence spectroscopy are used to clarify the crystallinity, morphology, and internal defects of perovskite thin films. The power conversion efficiency of p-i-n PerSCs based on slow-grown film (16.33%) shows greatly enhanced performance compared to that of the control device based on traditional thermally annealed perovskite film (14.33%). Furthermore, the V oc of the slow-growing device reaches 1.12 V, which is 0.1 V higher than that of the TA device. These findings indicate that slow growth of the perovskite layer from lead acetate precursor is a promising approach to achieve high-quality perovskite film for high-performance PerSCs.

Microscopic theory of longitudinal sound velocity in charge ordered manganites

International Nuclear Information System (INIS)

Rout, G C; Panda, S

2009-01-01

A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e g band, an exchange interaction between spins of the itinerant e g band electrons and the core t 2g electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

Microscopic theory of longitudinal sound velocity in charge ordered manganites

Energy Technology Data Exchange (ETDEWEB)

Rout, G C [Condensed Matter Physics Group, PG Department of Applied Physics and Ballistics, FM University, Balasore 756 019 (India); Panda, S, E-mail: gcr@iopb.res.i [Trident Academy of Technology, F2/A, Chandaka Industrial Estate, Bhubaneswar 751 024 (India)

2009-10-14

A microscopic theory of longitudinal sound velocity in a manganite system is reported here. The manganite system is described by a model Hamiltonian consisting of charge density wave (CDW) interaction in the e{sub g} band, an exchange interaction between spins of the itinerant e{sub g} band electrons and the core t{sub 2g} electrons, and the Heisenberg interaction of the core level spins. The magnetization and the CDW order parameters are considered within mean-field approximations. The phonon Green's function was calculated by Zubarev's technique and hence the longitudinal velocity of sound was finally calculated for the manganite system. The results show that the elastic spring involved in the velocity of sound exhibits strong stiffening in the CDW phase with a decrease in temperature as observed in experiments.

Wet routes of high purity BaTiO3 nanopowders

International Nuclear Information System (INIS)

Wang Liqiu; Liu Liang; Xue Dongfeng; Kang Hongmin; Liu Changhou

2007-01-01

High purity BaTiO 3 nanopowders were prepared in wet routes through stearic acid gel (SAG) and acetic acid gel (AAG) techniques, respectively. BaTiO 3 samples were characterized by X-ray diffraction, transmission electron microscope, Fourier transform infrared spectrometry, X-ray fluorescence spectrometry, and thermal gravimetric analysis. The present results indicate that both methods have a similar reaction process during calcination, while BaTiO 3 crystallites were initially formed at 550 deg. C by SAG and 800 deg. C by AAG. Both methods could produce BaTiO 3 powders with a cubic perovskite structure, while they had different grain size distributions within 25-50 nm for SAG and 50-80 nm for AAG. BaTiO 3 samples prepared by SAG had a lower agglomeration than those by AAG. SAG has shown many distinctive advantages in the preparation of high purity BaTiO 3 nanopowders, without Ba and Ti losses and hazardous wastes

Perovskite-based solar cells with inorganic inverted hybrid planar heterojunction structure

Directory of Open Access Journals (Sweden)

Wei-Chih Lai

2018-01-01

Full Text Available We demonstrated the good performance of inorganic inverted CH3NH3PbI3 perovskite-based solar cells (SCs with glass/ITO/NiOx/CH3NH3PbI3 perovskite/C60/ room temperature (RT-sputtered ZnO/Al structure. We adopted spin coating and RT sputtering for the deposition of NiOx and ZnO, respectively. The inorganic hole and electron transport layer of NiOx and RT-sputtered ZnO, respectively, could improve the open-circuit voltage (VOC, short-circuit current density (JSC, and power conversion efficiency (η% of the SCs. We obtained inorganic inverted CH3NH3PbI3 perovskite-based SCs with a JSC of 21.96 A/cm2, a VOC of 1.02 V, a fill factor (FF% of 68.2%, and an η% of 15.3% despite the sputtering damage of the RT-sputtered ZnO deposition. Moreover, the RT-sputtered ZnO could function as a diffusion barrier for Al, moisture, and O2. The inorganic inverted CH3NH3PbI3 perovskite-based SCs demonstrated improved storage reliability.

Perovskite-based solar cells with inorganic inverted hybrid planar heterojunction structure

Science.gov (United States)

Lai, Wei-Chih; Lin, Kun-Wei; Guo, Tzung-Fang; Chen, Peter; Liao, Yuan-Yu

2018-01-01

We demonstrated the good performance of inorganic inverted CH3NH3PbI3 perovskite-based solar cells (SCs) with glass/ITO/NiOx/CH3NH3PbI3 perovskite/C60/ room temperature (RT)-sputtered ZnO/Al structure. We adopted spin coating and RT sputtering for the deposition of NiOx and ZnO, respectively. The inorganic hole and electron transport layer of NiOx and RT-sputtered ZnO, respectively, could improve the open-circuit voltage (VOC), short-circuit current density (JSC), and power conversion efficiency (η%) of the SCs. We obtained inorganic inverted CH3NH3PbI3 perovskite-based SCs with a JSC of 21.96 A/cm2, a VOC of 1.02 V, a fill factor (FF%) of 68.2%, and an η% of 15.3% despite the sputtering damage of the RT-sputtered ZnO deposition. Moreover, the RT-sputtered ZnO could function as a diffusion barrier for Al, moisture, and O2. The inorganic inverted CH3NH3PbI3 perovskite-based SCs demonstrated improved storage reliability.

Modified titanate perovskites in photocatalytic water splitting

Energy Technology Data Exchange (ETDEWEB)

Wlodarczak, M.; Ludwiczak, M.; Laniecki, M. [A. Mickiewicz Univ. (Poland)

2010-07-01

Received materials have structure of perovskite, what was shown by XRD diffraction patterns. Perovskite structure is present in all samples with strontium, barium and one sample with calcium. Moreover, received barium and strontium titanate are very similar to pattern materials. XRD results show, that temperature 500 C is too low to create perovskite structure in CaTiO{sub 3}. However, it is high enough in case of SrTiO{sub 3} and BaTiO{sub 3}. One regularity is obvious, surface area increases for samples calcined in lower temperature. There is a connection between surface area and dispersion of platinum. Both of them reach the greatest value to the calcium titanate. Catalytic activity was shown by all of received samples. Measurable values were received to samples calcined in 700 C. Calcium titanate had the best catalytic activity, both an amount of hydrogen and a ratio of hydrogen to platinum. There is one regularity to all samples, the ration of hydrogen to platinum increase when amount of platinum decrease. (orig.)

Structural and spectroscopic studies of Ba{sub 2}Y{sub 1−δ}UO{sub 6+x}

Energy Technology Data Exchange (ETDEWEB)

Reynolds, Emily; Kennedy, Brendan J. [School of Chemistry, The University of Sydney, Sydney, NSW 2006 (Australia); Avdeev, Maxim; Thorogood, Gordon J.; Zhang, Zhaoming [Australian Nuclear Science and Technology Organisation, Lucas Heights, NSW 2234 (Australia); Brand, Helen E.A. [Australian Synchrotron, 800 Blackburn Rd, Clayton, Victoria 3168 (Australia)

2016-11-15

A combination of S-XRD and NPD demonstrate the structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} to be monoclinic in space group I2/m. That the U is hexavalent is evident from the U L{sub 2}-edge XANES measurements. This appears to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects, which combine to stabilise hexavalent U and appears to be a consequence of the preparation of the sample in air. The Y vacancies, coupled with anion disorder, results in a distortion of the BO{sub 6} octahedra. - Graphical abstract: The structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} is shown to be a rare example of a double perovskite containing vacancies at the octahedral B-sites and interstitial oxygen defects. - Highlights: • Structure of Ba{sub 2}Y{sub 0.879}UO{sub 6+x} refined. • U L-edge XANES demonstrates the U is hexavalent. • Rare example of a perovskite containing vacancies at the octahedral B-site. • Y vacancies result in a distortion of the BO{sub 6} octahedra.

Magnetoresistance and magnetic properties of the double perovskites

International Nuclear Information System (INIS)

Philipp, J.B.; Majewski, P.; Resinger, D.; Gepraegs, S; Opel, M.; Reb, A.; Alff, L.; Gross, R.

2004-01-01

The magnetic double perovskite materials of composition A 2 BB'O 6 with A an alkaline earth ion and B and B' a magnetic and non-magnetic transition metal or lanthanide ions, respectively, have attracted considerable attention due to their interesting magnetic properties ranging from antiferromagnetism to geometrically frustrated spin systems and ferromagnetism. With respect to application in spin electronics, the ferromagnetic double perovskites with BB' = CrW, CrRe, FeMo or FeRe and A = Ca, Ba, Sr are highly interesting due to their in most cases high Curie temperatures well above room temperature and their half-magnetic behaviour. Here, we summarize the structural, magnetotransport, magnetic and optical properties of the ferromagnetic double perovskites and discuss the underlying physics. In particular, we discuss the impact of the steric effects resulting in a distorted perovskite structure, doping effects obtained by a partial replacing of the divalent alkaline earth ions on the A site by a trivalent lanthanide as well as B/B' cationic disorder on the Curie temperature T C , the saturation magnetization and the magnetotransport properties. Our results support the presence of a kinetic energy driven mechanism in the ferromagnetic double perovskites, where ferromagnetism is stabilised by a hybridization of states of the non-magnetic B'- site positioned in between the high spin B-sites. (author)

Hybrid Organic-Inorganic Perovskite Photodetectors.

Science.gov (United States)

Tian, Wei; Zhou, Huanping; Li, Liang

2017-11-01

Hybrid organic-inorganic perovskite materials garner enormous attention for a wide range of optoelectronic devices. Due to their attractive optical and electrical properties including high optical absorption coefficient, high carrier mobility, and long carrier diffusion length, perovskites have opened up a great opportunity for high performance photodetectors. This review aims to give a comprehensive summary of the significant results on perovskite-based photodetectors, focusing on the relationship among the perovskite structures, device configurations, and photodetecting performances. An introduction of recent progress in various perovskite structure-based photodetectors is provided. The emphasis is placed on the correlation between the perovskite structure and the device performance. Next, recent developments of bandgap-tunable perovskite and hybrid photodetectors built from perovskite heterostructures are highlighted. Then, effective approaches to enhance the stability of perovskite photodetector are presented, followed by the introduction of flexible and self-powered perovskite photodetectors. Finally, a summary of the previous results is given, and the major challenges that need to be addressed in the future are outlined. A comprehensive summary of the research status on perovskite photodetectors is hoped to push forward the development of this field. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Multiferroic nature of charge-ordered rare earth manganites

International Nuclear Information System (INIS)

Serrao, Claudy Rayan; Sundaresan, A; Rao, C N R

2007-01-01

Charge-ordered rare earth manganites Nd 0.5 Ca 0.5 MnO 3 ,La 0.25 Nd 0.25 Ca 0.5 MnO 3 , Pr 0.7 Ca 0.3 MnO 3 and Pr 0.6 Ca 0.4 MnO 3 are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials.

Science.gov (United States)

Jang, Seon-Min; Yang, Su Chul

2018-06-08

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO 2 epitaxial growth and BaTiO 3 conversion. Through the TiO 2 epitaxial growth on FTO substrate, (001) oriented TiO 2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO 2 NBA was conducted to enlarge the surface area for effective Ba 2+ ion diffusion during the perovskite conversion process from TiO 2 to BaTiO 3 . The final structure of perovskite BaTiO 3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO 3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

Highly piezoelectric BaTiO3 nanorod bundle arrays using epitaxially grown TiO2 nanomaterials

Science.gov (United States)

Jang, Seon-Min; Yang, Su Chul

2018-06-01

Low-dimensional piezoelectric nanostructures such as nanoparticles, nanotubes, nanowires, nanoribbons and nanosheets have been developed for potential applications as energy harvesters, tunable sensors, functional transducers and low-power actuators. In this study, lead-free BaTiO 3 nanorod bundle arrays (NBA) with highly piezoelectric properties were successfully synthesized on fluorine-doped tin oxide (FTO) substrate via a two-step process consisting of TiO2 epitaxial growth and BaTiO3 conversion. Through the TiO2 epitaxial growth on FTO substrate, (001) oriented TiO2 nanostructures formed vertically-aligned NBA with a bundle diameter of 80 nm and an aspect ratio of six. In particular, chemical etching of the TiO2 NBA was conducted to enlarge the surface area for effective Ba2+ ion diffusion during the perovskite conversion process from TiO2 to BaTiO3. The final structure of perovskite BaTiO3 NBA was found to exhibit a feasible piezoelectric response of 3.56 nm with a clear phase change of 180° from the single BaTiO3 bundle, by point piezoelectric forced microscopy (PFM) analysis. Consequently, highly piezoelectric NBA could be a promising nanostructure for various nanoscale electronic devices.

Crystallization of Reduced Strontium and Barium Niobate Perovskites from Borate Fluxes.

NARCIS (Netherlands)

Hessen, B.; Sunshine, S.A.; Siegrist, T.; Jimenez, R.

1991-01-01

Single crystals of three AxNbO3 (A = Sr, Ba) reduced niobate cubic perovskites have been obtained by recrystallization of reduced ternary ceramic precursors from borate fluxes under high-vacuum. Product formation could be influenced by variation of the alkaline-earth metal oxide content of the flux,

Diffusion test of probe nuclei 111In(111Cd) in the compounds: LaBaMn2O6 'Double Perovskites' for measurements using PAC spectroscopy

International Nuclear Information System (INIS)

Nascimento, Natália M.; Bosch-Santos, Brianna; Sciarreta, Beatriz A.; Carbonari, Artur W.; Sandalo, Danilo S.

2017-01-01

Double perovskites of type LaBaMn 2 O 6 and LaBaCo 2 O 6 were made using two processes, sol-gel synthesis and solid state reaction, in order to identify which of the methods is best for insertion and diffusion of the 111 In test core ( 111 Cd) used for perturbed gamma-gamma angular correlation (PAC) spectroscopy measurements. The test core diffusion were performed with thermal treatments in air and at temperatures of 550 ° C, 650 ° C and 750 ° C. By the analysis of the results, the synthesis by Sol-Gel is more efficient for the insertion of the radioactive material, together with the heat treatment at 650 ° C. The advantage of this method is that the radioactive material can be added to the compounds of the synthesis process, even in the solid state reaction method the radioactive material can only be inserted after the ready compound

Solution processed deposition of electron transport layers on perovskite crystal surface—A modeling based study

Energy Technology Data Exchange (ETDEWEB)

Mortuza, S.M.; Taufique, M.F.N.; Banerjee, Soumik, E-mail: soumik.banerjee@wsu.edu

2017-02-01

Highlights: • The model determined the surface coverage of solution-processed film on perovskite. • Calculated surface density map provides insight into morphology of the monolayer. • Carbonyl oxygen atom of PCBM strongly attaches to the (110) surface of perovskite. • Uniform distribution of clusters on perovskite surface at lower PCBM concentration. • Deposition rate of PCBM on the surface is very high at initial stage of film growth. - Abstract: The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

Solution processed deposition of electron transport layers on perovskite crystal surface—A modeling based study

International Nuclear Information System (INIS)

Mortuza, S.M.; Taufique, M.F.N.; Banerjee, Soumik

2017-01-01

Highlights: • The model determined the surface coverage of solution-processed film on perovskite. • Calculated surface density map provides insight into morphology of the monolayer. • Carbonyl oxygen atom of PCBM strongly attaches to the (110) surface of perovskite. • Uniform distribution of clusters on perovskite surface at lower PCBM concentration. • Deposition rate of PCBM on the surface is very high at initial stage of film growth. - Abstract: The power conversion efficiency (PCE) of planar perovskite solar cells (PSCs) has reached up to ∼20%. However, structural and chemicals defects that lead to hysteresis in the perovskite based thin film pose challenges. Recent work has shown that thin films of [6,6]-phenyl-C61-butyric acid methyl ester (PCBM) deposited on the photo absorption layer, using solution processing techniques, minimize surface pin holes and defects thereby increasing the PCE. We developed and employed a multiscale model based on molecular dynamics (MD) and kinetic Monte Carlo (kMC) to establish a relationship between deposition rate and surface coverage on perovskite surface. The MD simulations of PCBMs dispersed in chlorobenzene, sandwiched between (110) perovskite substrates, indicate that PCBMs are deposited through anchoring of the oxygen atom of carbonyl group to the exposed lead (Pb) atom of (110) perovskite surface. Based on rates of distinct deposition events calculated from MD, kMC simulations were run to determine surface coverage at much larger time and length scales than accessible by MD alone. Based on the model, a generic relationship is established between deposition rate of PCBMs and surface coverage on perovskite crystal. The study also provides detailed insights into the morphology of the deposited film.

Magnetic and structural behavior of Sr2ZrMnO6 double perovskite

International Nuclear Information System (INIS)

Llamosa, D.P.; Landinez Tellez, D.A.; Roa-Rojas, J.

2009-01-01

We report synthesis and characterization of new Sr 2 ZrMnO 6 manganite-like material. Samples were produced by the solid state reaction method with sinterization temperatures up to 1400 deg. C. X-ray diffraction experiments reveal that structure belongs to the perovskite system, space group Fm3-barm(no. 225). Lattice parameter a=7.86A was obtained by means of Rietveld-type refinement, through the GSAS code. Magnetic properties were studied by using an MPMS Quantum Design SQUID. From measurements of magnetization as a function of temperature, we determine the occurrence of a paramagnetic-antiferromagnetic transition with Neel temperature 50 K. Curie-Weiss fitting permitted to obtain the magnetic characteristic parameters. At temperature regimes below the Neel temperature, strong evidences of frustration and an irreversibility temperature between zero field cooling (ZFC) and field cooling (FC) measurements were observed. Curves of magnetization as a function of applied field were performed at T=4K. Results show a hysteretic feature for Sr 2 ZrMnO 6 magnetic material. This response is attributed to formation of magnetic clusters as a consequence of cationic (magnetic and no magnetic) disorder along the double perovskite structure.

Manganite perovskite nanoparticles for self-controlled magnetic fluidhyperthermia: about the suitability of an aqueous combustion synthesis route

Czech Academy of Sciences Publication Activity Database

Epherre, R.; Duguet, E.; Mornet, S.; Pollert, Emil; Louguet, S.; Lecommandoux, S.; Schatz, Ch.; Goglio, G.

2011-01-01

Roč. 21, č. 12 (2011), s. 4393-4401 ISSN 0959-9428 Institutional research plan: CEZ:AV0Z10100521 Keywords : manganese perovskite nanoparticles * aqueouc combustion synthesis Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 5.968, year: 2011

Deficient by oxygen perovskites and superconductor with transition temperature 93 K

International Nuclear Information System (INIS)

Ross, N.L.; Angel, R.J.; Finger, L.W.; Hazen, R.M.; Prewitt, K.T.

1988-01-01

Structural changes in some perovskites deficient by oxygen is reviewd. The structure of the high-temperature YBa 2 Cu 3 O 7-x superconductor is shown to develop usual for perovskites properties and at the same time to possess specific features. The specific feature includes the fact that ordering of vacancies and oxygen atoms is the consequence of Ba 2+ and Y 3+ ordering in positions A. Such ordering causes the removal of oxygen atoms plane from the structure and accurrence of pyramidal-coordinated atoms Cu2 in positions B. 22 refs.; 3 figs.; 2 tabs

Studies on electrical conduction behavior of La1-3xCaxBaxSrxMnO3 synthesized by chemical route

International Nuclear Information System (INIS)

Rai, A.K.; Parkash, O.; Mandal, K.D.

2008-01-01

In the manganite La 1-x M x MnO 3 (M=Ca,Ba,Sr) the doping concentration introduces a mixed valency (Mn 3+ , Mn 4+ ) which governs the magnetic and electrical properties of the compound. The perovskite oxides La 1-3x Ca x Ba x Sr x MnO 3 (x=0.00,0.05,0.10) were prepared by chemical method. Single-phase formation is confirmed by XRD studies. The electrical behavior of compositions with x=0.00, 0.05 and 0.10 in the system La 1-3x Ca x Ba x Sr x MnO 3 was studied in the temperature range 300-420 K. It is observed that conductivity decreases with increasing temperature as well as dopants concentration. Metallic behavior of these compositions decreases with increasing dopants concentration (x). The microstructures of these samples have been characterized using scanning electron microscopy (SEM). (copyright 2007 WILEY -VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Epitaxial stabilization of ultra thin films of electron doped manganites

Energy Technology Data Exchange (ETDEWEB)

Middey, S., E-mail: smiddey@uark.edu; Kareev, M.; Meyers, D.; Liu, X.; Cao, Y.; Tripathi, S.; Chakhalian, J. [Department of Physics, University of Arkansas, Fayetteville, Arkansas 72701 (United States); Yazici, D.; Maple, M. B. [Department of Physics, University of California, San Diego, La Jolla, California 92093 (United States); Ryan, P. J.; Freeland, J. W. [Advanced Photon Source, Argonne National Laboratory, Argonne, Illinois 60439 (United States)

2014-05-19

Ultra-thin films of the electron doped manganite La{sub 0.8}Ce{sub 0.2}MnO{sub 3} were grown in a layer-by-layer growth mode on SrTiO{sub 3} (001) substrates by pulsed laser interval deposition. High structural quality and surface morphology were confirmed by a combination of synchrotron based x-ray diffraction and atomic force microscopy. Resonant X-ray absorption spectroscopy measurements confirm the presence of Ce{sup 4+} and Mn{sup 2+} ions. In addition, the electron doping signature was corroborated by Hall effect measurements. All grown films show a ferromagnetic ground state as revealed by both dc magnetization and x-ray magnetic circular dichroism measurements and remain insulating contrary to earlier reports of a metal-insulator transition. Our results hint at the possibility of electron-hole asymmetry in the colossal magnetoresistive manganite phase diagram akin to the high-T{sub c} cuprates.

Synthesis and characterization of BaNiO3 using a solid-state ...

Indian Academy of Sciences (India)

2017-07-26

Jul 26, 2017 ... In the present study, the preparation of BaNiO3 nano-oxide is reported via simple solid-state thermal decompo- ... Oxides; perovskite; magnetic fluid; XRD; SEM; VSM. 1. .... ray spectroscopy (EDS) using gold-coated samples.

Enthalpy changes when passing from simple to complex perovskite-like oxides

International Nuclear Information System (INIS)

Reznitskij, L.A.

1999-01-01

Formation enthalpies of complex perovskite-like oxides and their hexagonal analogs of the composition: Ba 2 ReFeO 6 , Sr 2 ReFeO 6 , Sr 2 ReMnO 6 , Ca 2 ReMnO 6 , Sr 2 WCrO 6 , Sr 2 MoCrO 6 , Ca 2 MoCrO 6 , Ca 2 WCrO 6 , Ba 3 Fe 2 ReO 9 , Ba 3 Cr 2 ReO 9 , Ba 2 RhTaO 6 and B 2 ScIrO 6 from simple oxides were calculated by approximate method using enthalpies of the cations coordination change in oxygen medium. The conclusion was made that enthalpy stabilization of the oxide with regard to simple oxides is mainly determined by the change in enthalpies of alkaline earth metal cations [ru

Synthesis, structure and total conductivity of A-site doped LaTiO3−δ perovskites

International Nuclear Information System (INIS)

Bradha, M.; Hussain, S.; Chakravarty, Sujay; Amarendra, G.; Ashok, Anuradha

2015-01-01

Highlights: • A-site divalent alkaline earth metal doped LaTiO 3−δ perovskites were synthesised by sol–gel method. • Structural studies revealed no change in crystal symmetry but change in cell dimensions after doping. • After doping divalent cations in A-site, an enhancement in total conductivity was observed in LaTiO 3−δ . • Temperature dependent electrical property was observed in all synthesised perovskites. - Abstract: Oxygen deficient perovskites LaTiO 3−δ and La 0.8 A 0.2 TiO 3−δ (A = Ba, Sr, Ca) were synthesized by sol–gel method. The effect of divalent dopants on microstructure is investigated in detail using X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The oxidation states of La 3+ and Ti 3+ ions have been deduced using X-ray Photoelectron Spectroscopy (XPS). Impedance spectroscopy was used to analyze the total conductivity, an increase in conductivity was observed after doping in the A-site with divalent cations Ba, Ca and Sr. Among the investigated perovskites La 0.8 Ca 0.2 TiO 3−δ exhibited the maximum conductivity of 1.22 × 10 −2 S/cm in air atmosphere at 650 °C

Lanthanide gallate perovskite-type substrates for epitaxial, high-Tc superconducting Ba2YCu3O7-δ films

International Nuclear Information System (INIS)

Giess, E.A.; Sandstrom, R.L.; Gallagher, W.J.; Gupta, A.; Shinde, S.L.; Cook, R.F.; Cooper, E.L.; O'Sullivan, E.M.J.; Roldan, J.M.; Segmuller, A.D.; Angilello, J.

1990-01-01

This paper reports on the use of lanthanide gallate perovskite-type substrates for the deposition of epitaxial, high-T c superconducting Ba 2 YCu 3 O 7-δ (BYCO) films. They were also found to have moderate dielectric constants (∼25 compared to ∼ 277 for SrTiO 3 ). This study was undertaken to further explore the use of LaGaO 3 , NdGaO 3 , SrTiO 3 , MgO, and Y-stabilized ZrO 2 substrates, prepared from single-crystal joules grown by several suppliers using the Czochralski method. Films were prepared by cylindrical magnetron sputtering and laser ablation. Substrate evaluations included measurement of dielectric constant and loss, thermal expansion, and mechanical hardness and toughness. In addition to their moderate dielectric constants, they were found to have satisfactory mechanical properties, except for the twinning tendency of LaGaO 3 . Lattice mismatch strains were calculated for orthorhombic BYCO films on a number of substrates. NdGaO 3 was found to have the best lattice match with BYCO, and is now available twin-free

Ba{sub y}Sr{sub 1−y}TiO{sub 3} buffer layers for strain tuning of infinite-layer Sr{sub 1−x}La{sub x}CuO{sub 2} thin films

Energy Technology Data Exchange (ETDEWEB)

Sakuma, Keita, E-mail: sakuma.keita@d.mbox.nagoya-u.ac.jp; Ito, Masataka; He, Yilun; Hajiri, Tetsuya; Ueda, Kenji; Asano, Hidefumi

2016-08-01

We report on the precise tuning of lattice strain in an infinite-layer electron-doped high temperature superconductor Sr{sub 1−x}La{sub x}CuO{sub 2} (SLCO; a{sub SLCO} = 0.3949 nm for x = 0.1), which is a perovskite-related oxide, using perovskite BaTiO{sub 3}–SrTiO{sub 3} (BSTO; Ba{sub y}Sr{sub 1−y}TiO{sub 3}) buffer layers. The BSTO buffer layers formed on (001) (La{sub 0.18}Sr{sub 0.82})(Al{sub 0.59}Ta{sub 0.41})O{sub 3} substrates by magnetron sputtering were fully relaxed with high crystalline quality due to high oxygen partial pressure deposition and post annealing at 950 °C. The lattice constants of the BSTO buffer layers could be controlled in the range of 0.3926–0.3973 nm by changing the Ba content (y = 0.2–0.7). These BSTO buffer layers allow coherent growth of SLCO thin films, and a clear dependence of the superconducting transition temperature on the lattice strain was observed. The fabrication of these BSTO/superconductor heterostructures may provide novel devices composed of functional perovskite thin films, in addition to a general approach for the precise control of lattice strain in functional perovskite thin films. - Highlights: • Ba{sub y}Sr{sub 1−y}TiO{sub 3} buffer layers were developed for the strain tuning of perovskite-related oxides. • Strain effect in Sr{sub 1−x}La{sub x}CuO{sub 2} was investigated by using Ba{sub y}Sr{sub 1−y}TiO{sub 3} buffer layers. • Ba{sub y}Sr{sub 1−y}TiO{sub 3} buffer layers can be used to tune the strain in other perovskite oxides.

Preparation of manganese-based perovskite nanoparticles using a ...

Indian Academy of Sciences (India)

Preparation of manganese-based perovskite nanoparticles using a reverse microemulsion method: ... ted much attention in various fields of medicine and pharma- cology such as .... In addition, the SAR value of sample was calculated through ...

Ordered perovskites with cationic vacancies. 10. Compounds of type A/sub 2/sup(II)Bsub(1/4)sup(II)Bsub(1/2)sup(III)vacantsub(1/4)Msup(VI)O/sub 6/ equal to A/sub 8/sup(II)Bsup(II)B/sub 2/sup(III)vacantM/sub 4/sup(VI)O/sub 24/ with Asup(II), Bsup(II) = Ba, Sr, Ca and Msup(VI) = U, W

Energy Technology Data Exchange (ETDEWEB)

Betz, B; Schittenhelm, H J; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1982-01-01

Perovskites of type Ba/sub 8/Bsup(II)B/sub 2/sup(III)vacantU/sub 4/sup(VI)O/sub 24/ show polymorphic phase transformations of order disorder type. An 1:1 ordered orthorhombic HT form is transformed into a higher ordered LT modification with a fourfold cell content (four formula units Ba/sub 8/Bsup(II)B/sub 2/sup(III)vacantU/sub 4/O/sub 24/), compared to cubic 1:1 ordered perovskites A/sub 2/BMO/sub 6/. In the series Ba/sub 8/BaB/sub 2/sup(III)vacantW/sub 4/O/sub 24/ and Sr/sub 8/SrB/sub 2/sup(III)vacantW/sub 4/O/sub 24/ different ordering phenomena are observed. In comparison with 1:1 ordered cubic perovskites A/sub 2/BMO/sub 6/, the cell contains eight formula units A/sub 8/sup(II)Bsup(II) B/sub 2/sup(III)vacantW/sub 4/O/sub 2/4. The higher ordered cells with Usup(VI) and Wsup(VI) are face centered, which has its origin in an ordering of cationic vacancies.

A novel cobalt-free layered GdBaFe{sub 2}O{sub 5+{delta}} cathode for proton conducting solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ding, Hanping; Xue, Xingjian [Department of Mechanical Engineering, University of South Carolina, Columbia, SC 29208 (United States)

2010-07-01

While cobalt-containing perovskite-type cathode materials facilitate the activation of oxygen reduction, they also suffer from problems like poor chemical stability in CO{sub 2} and high thermal expansion coefficients. In this research, a cobalt-free layered GdBaFe{sub 2}O{sub 5+{delta}} (GBF) perovskite was developed as a cathode material for protonic ceramic membrane fuel cells (PCMFCs) based on proton conducting electrolyte of stable BaZr{sub 0.1}Ce{sub 0.7}Y{sub 0.2}O{sub 3-{delta}} (BZCY7). The button cells of Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBF were fabricated and characterized using complex impedance technique from 600 to 700 C. An open-circuit potential of 1.007 V, maximum power density of 417 mW cm{sup -2}, and a low electrode polarization resistance of 0.18 {omega} cm{sup 2} were achieved at 700 C. The results indicate that layered GBF perovskite is a good candidate for cobalt-free cathode material, while the developed Ni-BZCY7 vertical stroke BZCY7 vertical stroke GBF cell is a promising functional material system for solid oxide fuel cells. (author)

Assessing the toxicity of Pb- and Sn-based perovskite solar cells in model organism Danio rerio

Science.gov (United States)

Babayigit, Aslihan; Duy Thanh, Dinh; Ethirajan, Anitha; Manca, Jean; Muller, Marc; Boyen, Hans-Gerd; Conings, Bert

2016-01-01

Intensive development of organometal halide perovskite solar cells has lead to a dramatic surge in power conversion efficiency up to 20%. Unfortunately, the most efficient perovskite solar cells all contain lead (Pb), which is an unsettling flaw that leads to severe environmental concerns and is therefore a stumbling block envisioning their large-scale application. Aiming for the retention of favorable electro-optical properties, tin (Sn) has been considered the most likely substitute. Preliminary studies have however shown that Sn-based perovskites are highly unstable and, moreover, Sn is also enlisted as a harmful chemical, with similar concerns regarding environment and health. To bring more clarity into the appropriateness of both metals in perovskite solar cells, we provide a case study with systematic comparison regarding the environmental impact of Pb- and Sn-based perovskites, using zebrafish (Danio Rerio) as model organism. Uncovering an unexpected route of intoxication in the form of acidification, it is shown that Sn based perovskite may not be the ideal Pb surrogate.

Assessing the toxicity of Pb- and Sn-based perovskite solar cells in model organism Danio rerio

Science.gov (United States)

Babayigit, Aslihan; Duy Thanh, Dinh; Ethirajan, Anitha; Manca, Jean; Muller, Marc; Boyen, Hans-Gerd; Conings, Bert

2016-01-01

Intensive development of organometal halide perovskite solar cells has lead to a dramatic surge in power conversion efficiency up to 20%. Unfortunately, the most efficient perovskite solar cells all contain lead (Pb), which is an unsettling flaw that leads to severe environmental concerns and is therefore a stumbling block envisioning their large-scale application. Aiming for the retention of favorable electro-optical properties, tin (Sn) has been considered the most likely substitute. Preliminary studies have however shown that Sn-based perovskites are highly unstable and, moreover, Sn is also enlisted as a harmful chemical, with similar concerns regarding environment and health. To bring more clarity into the appropriateness of both metals in perovskite solar cells, we provide a case study with systematic comparison regarding the environmental impact of Pb- and Sn-based perovskites, using zebrafish (Danio Rerio) as model organism. Uncovering an unexpected route of intoxication in the form of acidification, it is shown that Sn based perovskite may not be the ideal Pb surrogate. PMID:26759068

A New Lead Iodide Perovskite based on Large Organic Cation for Solar Cell Application.

Science.gov (United States)

Ma, Chunqing; Shen, Dong; Lo, Ming Fai; Lee, Chun-Sing

2018-06-06

Methylammonium (CH3NH3+) and formamidinium ((NH2)2CH+) based lead iodide perovskites are currently the two commonly used organic-inorganic lead iodide perovskites for solar cell application. Till now, there is still no alternative organic cations, which can produce perovskites with bandgaps spanning the visible spectrum (i.e. solar cell application. Here, a new perovskite using large propane-1,3-diammonium cation (n-Pr(NH3)22+) with a chemical structure of (n-Pr(NH3)2)0.5PbI3 is demonstrated. X-ray diffraction (XRD) result shows that the new perovskite exhibits a three-dimensional (3D), tetragonal phase. The bandgap of the new perovskite is ~ 1.6 eV, which is desirable for photovoltaic application. A (n-Pr(NH3)2)0.5PbI3 perovskite solar cell (PSC) yields a power conversion efficiency (PCE) of 5.1%. More importantly, this new perovskite is composed of larger hydrophobic cation that provides a better moisture resistance compared to CH3NH3PbI3 perovskite. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studies on Perovskite-Based Electrodes for Symmetrical SOFCs

Directory of Open Access Journals (Sweden)

Dos Santos García, A. J.

2008-10-01

Full Text Available The use of the same material as anode and cathode in symmetrical solid oxide fuel cells (SFCs promises notable benefits as easier fabrication, hence lower cost production and resistance to carbon formation upon fuel cracking. Although chromites and chromo-manganites have been proposed as candidate electrode materials for this novel SOFC configuration, demonstrating promising performances, further work is required to develop compositions exhibiting higher efficiencies. In the present work we evaluate the structural evolution from cubic to orthorhombic unit cells with increasing the Fe content and the performance of La₄Sr₈Ti_12-xFe_xO_38-δ (LSTF phases and compare their response with other symmetrical electrodes. The electrochemical performance is 20% higher when using graded LSTF electrodes than in other perovskite-based systems.

La utilización simultánea de un mismo material cerámico como ánodo y cátodo en pilas de combustible de óxido sólido simétricas (SFCs aporta una serie de beneficios entre los que figura una fabricación más sencilla, reducción de los costes de producción, así como resistencia a la formación de depósitos de carbón por craqueo del combustible. Recientemente, cromitas y cromomanganitas han sido propuestos como materiales capaces de adoptar esta novedosa configuración SOFC y, si bien los resultados obtenidos son prometedores, se requiere de una mayor investigación para el desarrollo de nuevas composiciones que presenten eficiencias más elevadas. En el presente trabajo, se evalúan la evolución de la estructura desde celdas cúbicas a ortorrómbicas al aumentar el contenido en Fe y las prestaciones del sistema La₄Sr₈Ti_12-xFe_xO_38-δ (LSTF y se compara su respuesta con otros electrodos simétricos, observándose que el rendimiento es hasta un 20% mayor en el caso de emplear electrodos LSTF que en

Structural phase transition of BaZrO3 under high pressure

International Nuclear Information System (INIS)

Yang, Xue; Li, Quanjun; Liu, Ran; Liu, Bo; Zhang, Huafang; Jiang, Shuqing; Zou, Bo; Cui, Tian; Liu, Bingbing; Liu, Jing

2014-01-01

We studied the phase transition behavior of cubic BaZrO 3 perovskite by in situ high pressure synchrotron X-ray diffraction experiments up to 46.4 GPa at room temperature. The phase transition from cubic phase to tetragonal phase was observed in BaZrO 3 for the first time, which takes place at 17.2 GPa. A bulk modulus 189 (26) GPa for cubic BaZrO 3 is derived from the pressure–volume data. Upon decompression, the high pressure phase transforms into the initial cubic phase. It is suggested that the unstable phonon mode caused by the rotation of oxygen octahedra plays a crucial role in the high pressure phase transition behavior of BaZrO 3

Titania-coated manganite nanoparticles: Synthesis of the shell, characterization and MRI properties

Energy Technology Data Exchange (ETDEWEB)

Jirák, Zdeněk; Kuličková, Jarmila [Institute of Physics, AS CR, Cukrovarnická 10, 162 00 Praha 6 (Czech Republic); Herynek, Vít [Institute for Clinical and Experimental Medicine, Vídeňská 1958/9, 140 21 Praha 4 (Czech Republic); Maryško, Miroslav [Institute of Physics, AS CR, Cukrovarnická 10, 162 00 Praha 6 (Czech Republic); Koktan, Jakub [Institute of Physics, AS CR, Cukrovarnická 10, 162 00 Praha 6 (Czech Republic); University of Chemistry and Technology, Prague, Technická 5, 166 28 Praha 6 (Czech Republic); Kaman, Ondřej, E-mail: kamano@seznam.cz [Institute of Physics, AS CR, Cukrovarnická 10, 162 00 Praha 6 (Czech Republic)

2017-04-01

Novel procedure for coating of oxide nanoparticles with titania, employing hydrolysis and polycondensation of titanium alkoxides under high-dilution conditions and cationic surfactants, is developed and applied to magnetic cores of perovskite manganite. Bare particles of the ferromagnetic La{sub 0.65}Sr{sub 0.35}MnO{sub 3} phase, possessing high magnetization, M{sub 10} {sub kOe}(4.5 K) = 63.5 emu g{sup −1}, and Curie temperature, T{sub C} = 355 K, are synthesized by sol-gel procedure and subsequently coated with titania. Further, a comparative silica-coated product is prepared. In order to analyse the morphology, colloidal stability, and surface properties of these two types of coated particles, a detailed study by means of transmission electron microscopy, dynamic light scattering, zeta-potential measurements, and IR spectroscopy is carried out. The experiments on the titania-coated sample reveal a continuous though porous character of the TiO{sub 2} shell, the nature of which is amorphous but can be transformed to anatase at higher temperatures. Finally, the relaxometric study at the magnetic field of 0.5 T, performed to quantity the transverse relaxivity and its temperature dependence, reveals important differences between the titania-coated and silica-coated nanoparticles. - Highlights: • Magnetic nanoparticles of perovskite La{sub 0.65}Sr{sub 0.35}MnO{sub 3} phase are coated with TiO{sub 2}. • The titania forms a continuous and amorphous shell and provides colloidal stability. • Morphology and surface properties are compared to a silica-coated product. • MRI properties of both the titania- and silica-coated particles are studied at 0.5 T. • The temperature dependence of r{sub 2} is strongly affected by the type of coating.

Magnon Broadening Effect by Magnon-Phonon Interaction in Colossal Magnetoresistance Manganites

OpenAIRE

Furukawa, Nobuo

1999-01-01

In order to study the magnetic excitation behaviors in colossal magnetoresistance manganites, a magnon-phonon interacting system is investigated. Sudden broadening of magnon linewidth is obtained when a magnon branch crosses over an optical phonon branch. Onset of the broadening is approximately determined by the magnon density of states. Anomalous magnon damping at the brillouine zone boundary observed in low Curie temperature manganites is explained.

Proton-oxygen conductivity in substituted perovskites ATi0.95Mo0.05O3-α (A = Ca, Sr, Ba; M = Sc, Mg) in the reducing hydrogen-containing atmospheres

International Nuclear Information System (INIS)

Gorelov, V.P.; Balakireva, V.B.; Sharova, N.V.

1999-01-01

Electric conductivity depending on temperature, oxygen partial pressure, as well as the number of t i ion transfer and transfer hydrogen numbers in the perovskites ATi 0.95 Mo 0.05 O 3-α (A = Ca, Sr, Ba; M = Sc, Mg) in reducing hydrogen-containing atmospheres in the temperature range of 450-850 deg C have been measured. With the temperature decrease t i increases reaching 1.0 at a temperature of 550 deg C for all compositions. Proton conductivity under conditions of assumed concomitant transfer of either O 2- or OH - has been ascertained [ru

Perovskite-Perovskite Homojunctions via Compositional Doping.

Science.gov (United States)

Dänekamp, Benedikt; Müller, Christian; Sendner, Michael; Boix, Pablo P; Sessolo, Michele; Lovrincic, Robert; Bolink, Henk J

2018-05-11

One of the most important properties of semiconductors is the possibility of controlling their electronic behavior via intentional doping. Despite the unprecedented progress in the understanding of hybrid metal halide perovskites, extrinsic doping of perovskite remains nearly unexplored and perovskite-perovskite homojunctions have not been reported. Here we present a perovskite-perovskite homojunction obtained by vacuum deposition of stoichiometrically tuned methylammonium lead iodide (MAPI) films. Doping is realized by adjusting the relative deposition rates of MAI and PbI 2 , obtaining p-type (MAI excess) and n-type (MAI defect) MAPI. The successful stoichiometry change in the thin films is confirmed by infrared spectroscopy, which allows us to determine the MA content in the films. We analyzed the resulting thin-film junction by cross-sectional scanning Kelvin probe microscopy (SKPM) and found a contact potential difference (CPD) of 250 mV between the two differently doped perovskite layers. Planar diodes built with the perovskite-perovskite homojunction show the feasibility of our approach for implementation in devices.

Controlled lateral anisotropy in correlated manganite heterostructures by interface-engineered oxygen octahedral coupling

NARCIS (Netherlands)

Liao, Zhaoliang; Huijben, Mark; Zhong, Z.; Gauquelin, N.; Macke, S.; Green, R.J.; van Aert, S.; Verbeeck, J.; van Tendeloo, G.; Held, K.; Sawatzky, G.A.; Koster, Gertjan; Rijnders, Augustinus J.H.M.

2016-01-01

Controlled in-plane rotation of the magnetic easy axis in manganite heterostructures by tailoring the interface oxygen network could allow the development of correlated oxide-based magnetic tunnelling junctions with non-collinear magnetization, with possible practical applications as miniaturized

Synthesis and characterization of Ba_0_._5Pb_0_._5TiO_3 perovskite - type thin films deposited by spin coating at low temperatures

International Nuclear Information System (INIS)

Wermuth, T.B.; Wiederkehr, N.A.; Alves, A.K.; Bergmann, C.P.

2014-01-01

In this paper we present a non-aqueous sol-gel route for the obtention of solid compounds and thin films of oxide type- perovskite ABO_3, such as Ba_0_._5 Pb_0_._5 TiO_3, synthesized by sol - gel route with subsequent heat treatment. The solid compounds were characterized by X-ray diffraction (XRD) techniques and thermal analysis (TGA / DTA). The thin film was obtained by using spin-coating techniques at low temperatures onto commercial substrates of polymethylmethacrylate (PMMA) and characterized by contact angle, atomic force microscopy (AFM) and scanning electron microscopy (SEM). The results show that the films present microstructures and roughness directly related to annealing temperatures, characterized by the formation of crystalline nanostructures with surface regularity and transparency. (author)

Crystalline structure of the manganites solid solution RE(Me,MnO₃, (RE=Gd,Er; Me=Ni,Co

Directory of Open Access Journals (Sweden)

Peña, O.

2009-08-01

Full Text Available The structural properties of the manganites solid solution RE(Me,MnO₃, RE=Er,Gd, have been studied by X-ray diffraction and electric measurements. Powders were prepared by solid state reaction between the component oxides. Incorporation of Ni²⁺ or Co²⁺ on the lattice in the Mn sites leads to changes in the parameters and symmetry of the perovskite or hexagonal compounds GdMnO₃ and ErMnO₃ respectively. The phase transitions depend on the amount of substituted Jahn-Teller Mn³⁺ cations, and, therefore, of the cooperative Jahn-Teller interaction weakness. Solid solutions based on GdMnO₃ perovskite compound change from O’-type to O-type orthorhombic perovskite symmetry when the Mn³⁺ cation amount decreases, because of the progressive substitution for Ni, Co. This transition occurs for lower amount of Ni²⁺ than for Co²⁺ cation. The Er-based solid solutions showed a different behaviour. For Ni²⁺ and Co²⁺ incorporation there are changes from hexagonal ErMnO₃-type lattice to perovskite-type symmetry, for 20 at% and 30 at% respectively of substituting cations. The resultant perovskites crystallised directly in the O-type orthorhombic perovskite structure. The steric influence seems to play a secondary role, such as it can be deduced of the small variation of the Goldschmidt tolerance factor, t, for perovskite structure.

Las propiedades estructurales de las soluciones sólidas RE(Me,MnO₃, RE=Gd,Er, Me=Ni,Co, han sido estudiadas por difracción de rayos X, (DRX y medidas eléctricas. Las fases se sintetizaron por reacción en estado sólido entre los óxidos componentes. La incorporación de los cationes Ni²⁺ y Co^2+,3+ en la red en lugar de Mn lleva a cambios en los parámetros de red y en la simetría de la perovskita, GdMnO₃ o del compuesto hexagonal Er

Chlorine-Incorporation-Induced Formation of the Layered Phase for Antimony-Based Lead-Free Perovskite Solar Cells.

Science.gov (United States)

Jiang, Fangyuan; Yang, Dongwen; Jiang, Youyu; Liu, Tiefeng; Zhao, Xingang; Ming, Yue; Luo, Bangwu; Qin, Fei; Fan, Jiacheng; Han, Hongwei; Zhang, Lijun; Zhou, Yinhua

2018-01-24

The environmental toxicity of Pb in organic-inorganic hybrid perovskite solar cells remains an issue, which has triggered intense research on seeking alternative Pb-free perovskites for solar applications. Halide perovskites based on group-VA cations of Bi 3+ and Sb 3+ with the same lone-pair ns 2 state as Pb 2+ are promising candidates. Herein, through a joint experimental and theoretical study, we demonstrate that Cl-incorporated methylammonium Sb halide perovskites (CH 3 NH 3 ) 3 Sb 2 Cl X I 9-X show promise as efficient solar absorbers for Pb-free perovskite solar cells. Inclusion of methylammonium chloride into the precursor solutions suppresses the formation of the undesired zero-dimensional dimer phase and leads to the successful synthesis of high-quality perovskite films composed of the two-dimensional layered phase favored for photovoltaics. Solar cells based on the as-obtained (CH 3 NH 3 ) 3 Sb 2 Cl X I 9-X films reach a record-high power conversion efficiency over 2%. This finding offers a new perspective for the development of nontoxic and low-cost Sb-based perovskite solar cells.

Hexagonal perovskites with cationic vacancies. 16. Rhombohedral 12 L-stacking polytypes Ba/sub 3/Asup(III)M/sub 3/sup(V)vacantO/sub 12/ with Msup(V) = Nb, Ta

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1980-02-01

The white quaternary oxides Ba/sub 3/LaM/sub 3/sup(V)vacantO/sub 12/ with Msup(V) = Nb, Ta belong to the group of hexagonal perovskites with cationic vacancies. They crystallize in a rhombohedral 12 L-structure (sequence (hhcc)/sub 3/; space group R3m) with a = 5.75 A; c = 28.1 A (Msup(V) = Nb); a = 5.74 A; c = 28.2 A (Ta) and Z = 3. Signs for the formation of isotypic compounds with Asup(III) = Pr, Nd could be obtained as well.

Electric field tuning of phase separation in manganite thin films

KAUST Repository

Lourembam, James; Wu, Jianchun; Ding, Junfeng; Lin, Weinan; Wu, Tao

2014-01-01

In this paper, we investigate the electric field effect on epitaxial Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films in electric double-layer transistors. Different from the conventional transistors with semiconducting channels, the sub(micrometer)-scale phase separation in the manganite channels is expected to result in inhomogeneous distribution of mobile carriers and local enhancement of electric field. The field effect is much larger in the low-temperature phase separation region compared to that in the high-temperature polaron transport region. Further enhancement of electroresistance is achieved by applying a magnetic field, and a 250% modulation of resistance is observed at 80 K, equivalent to an increase of the ferromagnetic metallic phase fraction by 0.51%, as estimated by the general effective medium model. Our results illustrate the complementary nature of electric and magnetic field effects in phase-separated manganites, providing insights on such novel electronic devices based on complex oxides.

Electric field tuning of phase separation in manganite thin films

KAUST Repository

Lourembam, James

2014-01-29

In this paper, we investigate the electric field effect on epitaxial Pr0.65(Ca0.75Sr0.25)0.35MnO3 thin films in electric double-layer transistors. Different from the conventional transistors with semiconducting channels, the sub(micrometer)-scale phase separation in the manganite channels is expected to result in inhomogeneous distribution of mobile carriers and local enhancement of electric field. The field effect is much larger in the low-temperature phase separation region compared to that in the high-temperature polaron transport region. Further enhancement of electroresistance is achieved by applying a magnetic field, and a 250% modulation of resistance is observed at 80 K, equivalent to an increase of the ferromagnetic metallic phase fraction by 0.51%, as estimated by the general effective medium model. Our results illustrate the complementary nature of electric and magnetic field effects in phase-separated manganites, providing insights on such novel electronic devices based on complex oxides.

Chromite/titanate based perovskites for application as anodes in solid oxide fuel cells

NARCIS (Netherlands)

Pudmich, G.; Boukamp, Bernard A.; Gonzalez Cuenca, M.M.; Jungen, W.; Zipprich, W.M.; Tietz, F.

2000-01-01

Perovskites containing lanthanides, partially substituted by alkaline-earth elements and transition metals like Cr, Ti, Fe or Co show a very broad range of physical properties. Therefore several perovskite materials, based on lanthanum chromite and strontium titanate were synthesised and

Ba-DOPED ZnO MATERIALS: A DFT SIMULATION TO INVESTIGATE THE DOPING EFFECT ON FERROELECTRICITY

Directory of Open Access Journals (Sweden)

Luis H. da S. Lacerda

2016-04-01

Full Text Available ZnO is a semiconductor material largely employed in the development of several electronic and optical devices due to its unique electronic, optical, piezo-, ferroelectric and structural properties. This study evaluates the properties of Ba-doped wurtzite-ZnO using quantum mechanical simulations based on the Density Functional Theory (DFT allied to hybrid functional B3LYP. The Ba-doping caused increase in lattice parameters and slight distortions at the unit cell angle in a wurtzite structure. In addition, the doping process presented decrease in the band-gap (Eg at low percentages suggesting band-gap engineering. For low doping amounts, the wavelength characteristic was observed in the visible range; whereas, for middle and high doping amounts, the wavelength belongs to the Ultraviolet range. The Ba atoms also influence the ferroelectric property, which is improved linearly with the doping amount, except for doping at 100% or wurtzite-BaO. The ferroelectric results indicate the ZnO:Ba is an strong option to replace perovskite materials in ferroelectric and flash-type memory devices.

A temperature-dependent structural investigation of electrical transitions in A 3conb2o9 perovskites (A=Ca2+, Sr2+, Ba2+)

International Nuclear Information System (INIS)

Ting, V.; Liu, Y.; Withers, R.L.

2006-01-01

Upon heating, the 1:2 triple perovskites A 3 CoNb 2 O 9 (A=Ca, Sr or Ba) each undergo well-defined insulator to conductor phase transitions at ∼8, ∼126 and ∼325 deg. C, respectively. As the trend in the transition temperatures for these materials does not correlate with the size of the reported band gaps, neutron powder diffraction has been used to investigate if this change in electrical behaviour of the materials was due to a structural phase change. It was found that in the regions of the suspected phase transitions there were only slight perturbations of the structures, namely thermal expansion of the lattices and an apparent muting of the amplitude of the octahedral rotations in the A=Ca and Sr compound at higher temperatures

Synthesis of calcium doped lanthanum manganite by mechanosynthesis

International Nuclear Information System (INIS)

Bolarin, A.M.; Sanchez, F.; Palomares, S.; Aguilar, J.A.; Torres-Villasenor, G.

2007-01-01

Lanthanum manganite doped with calcium, Ca 1/3 La 2/3 MnO 3-δ , was prepared by a high-energy ball milling. The precursors used were Mn 2 O 3 , La 2 O 3 and CaO, mixed in the stoichiometric ratio to obtain this manganite. The mechano-chemical process was performed at room temperature in a SPEX 8000D mixer/mill, using hardened steel balls and stainless steel vials, in air atmosphere. X-ray diffraction was used to elucidate the phase transformation as a function of the milling time. The Rietveld refinement was used in order to characterize structurally the manganites. The morphology and particle size of powder compound obtained were characterized by scanning electron microscope. The particle size of this powder material was measured with zeta size analyzer, and selected area electron diffraction (SAED) from TEM was used to elucidate the crystalline structure of this powder compound. The results showed that it is possible to obtain calcium doped lanthanum manganite by mechano-synthesis, using a weight ratio of ball to powder of 12:1, after 3 h of milling. The evolution of the phase transformation during the milling time is reported. Increases in milling time produce exponential decrease in the particle size, up to 680 nm after 1 h of milling. After the milling process it is obtained a powder compound with an orthorhombic structure (S.G. Pbnm). A prolonged milling time (>9 h) produce an important reduction in the particle size but this is accompanied with a high iron contamination caused by metallic residues originated from vial and balls and also, after 9 h of milling time, it was found an important distortion in orthorhombic structure, obtaining two types of parameters

Epitaxial thin-film growth of Ruddlesden-Popper-type Ba3Zr2O7 from a BaZrO3 target by pulsed laser deposition

International Nuclear Information System (INIS)

Butt, Shariqa Hassan; Rafique, M.S.; Siraj, K.; Latif, A.; Afzal, Amina; Awan, M.S.; Bashir, Shazia; Iqbal, Nida

2016-01-01

Ruddlesden-Popper Ba 3 Zr 2 O 7 thin films have been synthesized via pulsed laser deposition (PLD) technique. The optimization of deposition parameters in PLD enables the formation of thin film of metastable Ba 3 Zr 2 O 7 phase from BaZrO 3 target. In order to see the post-annealing effects on the structural and optical properties, the deposited Ba 3 Zr 2 O 7 thin films were annealed at 500, 600 and 800 C. X-ray diffraction (XRD) reveals the formation of Ba 3 Zr 2 O 7 phase with tetragonal structure. The changes in the surface of the deposited films were analysed by FE-SEM and AFM. The thin film post-annealed at 500 C exhibited the best structural, optical and surface properties. Furthermore, the chemical states and chemical composition of the films were determined by X-ray photoelectron spectroscopy (XPS) near the surface. The XPS results show that Ba, Zr and O exist mainly in the form of Ba 3 Zr 2 O 7 Ruddlesden-Popper-type perovskite structure. (orig.)

Half-metallic and insulating natures in Ru-based ordered double perovskite oxides Ba{sub 2}X{sup III}Ru{sup V}O{sub 6} (X = V, Cr) induced by 3d-t{sub 2g}{sup n} orbital filling

Energy Technology Data Exchange (ETDEWEB)

Saad, H.-E.M. Musa, E-mail: musa.1964@gmail.com; Althoyaib, S.S.

2017-04-01

In this paper, we present results of a comprehensive systemic study of the crystal, electronic and magnetic structures on two members of Ru-based ordered double perovskite oxides Ba{sub 2}XRuO{sub 6} (X = V, Cr). For the corporate compound, the analysis of density of states (DOS) results suggests that the 3d-t{sub 2g} orbital filling plays a major role in governing the conduction mechanism in these systems. The DOS and magnetic results show that Ba{sub 2}XRuO{sub 6} exhibits half-metallic (HM) nature as X = V, where the electronic structure of Ba{sub 2}V{sup III}Ru{sup V}O{sub 6} with 3d-t{sub 2g}{sup 2} behaves like that of HM ferrimagnetic (FI), switches to compensate FI insulating behavior as X = Cr, with an extra electron filled 3d-t{sub 2g}{sup 3} in Ba{sub 2}Cr{sup III}Ru{sup V}O{sub 6}. We find, on consideration of electron correlation (LSDA+U) and spin-orbital coupling (SOC) effects that the electronic structure of Ba{sub 2}XRuO{sub 6} takes a HM nature, whereas it is completely transformed to insulating nature once an extra electron filled the 3d-t{sub 2g} orbitals in X = Cr case. Such tuning is accompanied by spin-state hopping of one electron from half-filled spin-state in Ru{sup V} (t{sub 2g}{sup 3} e{sub g}{sup 0}) to two and three occupied spin-state in V{sup III} (t{sub 2g}{sup 2} e{sub g}{sup 0}) and Cr{sup III} (t{sub 2g}{sup 3} e{sub g}{sup 0}), respectively. The charge distribution results show that this extra electron occupies chiefly the spin-down of conduction orbitals and plays a major role in determining the electronic and magnetic structures of Ba{sub 2}XRuO{sub 6} system. - Highlights: • Half-metallic and insulating natures are observed in Ba{sub 2}XRuO{sub 6} (X = V, Cr). • 3d-t{sub 2g}{sup n} orbitals filling plays a major role in governing the conduction mechanism. • LSDA+U method under density functional theory (DFT) is considered. • HM ferrimagnetic (FI) (X = V) switch to compensate FI insulating (X = Cr).

Synthesis, structure, and electrical conductivity of A'[A(sub 2)B(sub 3)O(sub 10)] (A'=Rb, Cs A=Sr, Ba; B=Nb, Ta)

International Nuclear Information System (INIS)

Thangadurai, Venkataraman; Schmid-Beurmann, Peter; Weppner, Werner

2001-01-01

New members of Dion-Jacobson (D-J)-type layered perovskites of the general formula A'[A(sub 2)B(sub 3)O(sub 10)] (A'=Rb, Cs; A=Sr, Ba; B=Nb, Ta) were prepared by solid-state reactions between the metal oxides, nitrates, and carbonates under specific conditions. The crystal structures were determined using powder X-ray diffraction data in combination with Rietveld analysis. The c-axis lattice parameter increases as the size of the alkaline earth ion increases. Both Sr and Ba compounds crystallize in a tetragonal cell, while the corresponding Ca compounds crystallize in an orthorhombic cell. The electrical conductivity of the layered perovskites was determined using AC impedance analysis and DC methods. Among the compounds with the same alkali ion and different alkaline earth ions, the Ca compound exhibits a higher electrical conductivity than the corresponding Sr and Ba compounds. DC measurements reveal that the layered perovskites exhibit both ionic and electronic conduction

Curtailing Perovskite Processing Limitations via Lamination at the Perovskite/Perovskite Interface

Energy Technology Data Exchange (ETDEWEB)

Van Hest, Marinus F [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Moore, David [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Klein, Talysa [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Christians, Jeffrey A [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Beard, Matthew C [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Berry, Joseph J [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Dunfield, Sean P. [University of Colorado; Fabian, David M. [University of California Irvine; Dixon, Alex G. [University of Colorado; Dou, Benjia [University of Colorado; Ardo, Shane [University of California Irvine; Shaheen, Sean E. [University of Colorado

2018-04-24

Standard layer-by-layer solution processing methods constrain lead-halide perovskite device architectures. The layer below the perovskite must be robust to the strong organic solvents used to form the perovskite while the layer above has a limited thermal budget and must be processed in nonpolar solvents to prevent perovskite degradation. To circumvent these limitations, we developed a procedure where two transparent conductive oxide/transport material/perovskite half stacks are independently fabricated and then laminated together at the perovskite/perovskite interface. Using ultraviolet-visible absorption spectroscopy, external quantum efficiency, X-ray diffraction, and time-resolved photoluminesence spectroscopy, we show that this procedure improves photovoltaic properties of the perovskite layer. Applying this procedure, semitransparent devices employing two high-temperature oxide transport layers were fabricated, which realized an average efficiency of 9.6% (maximum: 10.6%) despite series resistance limitations from the substrate design. Overall, the developed lamination procedure curtails processing constraints, enables new device designs, and affords new opportunities for optimization.

Multiferroic nature of charge-ordered rare earth manganites

Energy Technology Data Exchange (ETDEWEB)

Serrao, Claudy Rayan [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Sundaresan, A [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India); Rao, C N R [Chemistry and Physics of Materials Unit, Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur PO, Bangalore-560064 (India)

2007-12-12

Charge-ordered rare earth manganites Nd{sub 0.5}Ca{sub 0.5}MnO{sub 3},La{sub 0.25}Nd{sub 0.25}Ca{sub 0.5}MnO{sub 3}, Pr{sub 0.7}Ca{sub 0.3}MnO{sub 3} and Pr{sub 0.6}Ca{sub 0.4}MnO{sub 3} are found to exhibit dielectric constant anomalies around the charge-ordering or the antiferromagnetic transition temperatures. Magnetic fields have a marked effect on the dielectric properties, indicating the presence of coupling between the magnetic and electrical order parameters. The observation of magnetoferroelectricity in these manganites is in accord with the recent theoretical predictions of Khomskii and co-workers.

Insertion of water into rare earth oxocuprates (Ln)Ba 2Cu 3O 7-δ

Science.gov (United States)

Günther, Wulf; Schöllhorn, Robert

1996-02-01

The solid state reaction of LnBa 2Cu 3O 7-δ bulk material with water vapour corresponds to a quantitative topotactic reaction of the solid with H 2O to a maximum stoichiometry of LnBa 2Cu 3O 7-δ(H 2O) 1. The reaction proceeds in a temperature window which depends upon the oxygen content (δ) of the starting phase and is correlated with a structural transition via intermediate states. Although the integral copper oxidation state is not affected by the water intercalation, electronic and transport properties are strongly influenced. The insertion of water into these defect perovskites has to be described as a topotactic acid/base process.

Resonant halide perovskite nanoparticles

Science.gov (United States)

Tiguntseva, Ekaterina Y.; Ishteev, Arthur R.; Komissarenko, Filipp E.; Zuev, Dmitry A.; Ushakova, Elena V.; Milichko, Valentin A.; Nesterov-Mueller, Alexander; Makarov, Sergey V.; Zakhidov, Anvar A.

2017-09-01

The hybrid halide perovskites is a prospective material for fabrication of cost-effective optical devices. Unique perovskites properties are used for solar cells and different photonic applications. Recently, perovskite-based nanophotonics has emerged. Here, we consider perovskite like a high-refractive index dielectric material, which can be considered to be a basis for nanoparticles fabrication with Mie resonances. As a result, we fabricate and study resonant perovskite nanoparticles with different sizes. We reveal, that spherical nanoparticles show enhanced photoluminescence signal. The achieved results lay a cornerstone in the field of novel types of organic-inorganic nanophotonics devices with optical properties improved by Mie resonances.

Evolution of loss tangent with structural ordering of the perovskite-type Ba_3CaNb_2O_9 ceramics

International Nuclear Information System (INIS)

Rodrigues, J.E.F.S.; Correr, W.R.; Hernandes, A.C.; Castro, P.J.; Pizani, P.S.

2016-01-01

In this paper, we investigate the microwave dielectric properties considering the de-gree of disorder, which plays a fundamental role in the values of dielectric loss, for the perovskite-type Ba_3CaNb_2O_9 ceramics. Dense ceramics were prepared by con-ventional method in solid state reactions and their dielectric properties were then ob-tained as a function of sintering time. The coexistence of domains in the 1:1 (cubic) and the 1:2 (trigonal) ordering types in all samples was realized. Specifically, the in-crease of sintering time tends to reduce the domains 1:1, raising the unloaded quality factor (Q_u). The domain (1:1) acts as a lattice vibration damping, thus increasing the dielectric loss at resonance. The best performance was recorded in sintered ceramic at 1500° C for 32 h: ε_r = 43 (relative permittivity), Q_u × f_R = 15,752 GHz (resonant frequency f_R = 7.76 GHz) and τ_f = 278 ppm/deg C (coefficient of resonant frequency variation with temperature). (author)

Parameters influencing the deposition of methylammonium lead halide iodide in hole conductor free perovskite-based solar cells

Science.gov (United States)

Cohen, Bat-El; Gamliel, Shany; Etgar, Lioz

2014-08-01

Perovskite is a promising light harvester for use in photovoltaic solar cells. In recent years, the power conversion efficiency of perovskite solar cells has been dramatically increased, making them a competitive source of renewable energy. An important parameter when designing high efficiency perovskite-based solar cells is the perovskite deposition, which must be performed to create complete coverage and optimal film thickness. This paper describes an in-depth study on two-step deposition, separating the perovskite deposition into two precursors. The effects of spin velocity, annealing temperature, dipping time, and methylammonium iodide concentration on the photovoltaic performance are studied. Observations include that current density is affected by changing the spin velocity, while the fill factor changes mainly due to the dipping time and methylammonium iodide concentration. Interestingly, the open circuit voltage is almost unaffected by these parameters. Hole conductor free perovskite solar cells are used in this work, in order to minimize other possible effects. This study provides better understanding and control over the perovskite deposition through highly efficient, low-cost perovskite-based solar cells.

Parameters influencing the deposition of methylammonium lead halide iodide in hole conductor free perovskite-based solar cells

International Nuclear Information System (INIS)

Cohen, Bat-El; Gamliel, Shany; Etgar, Lioz

2014-01-01

Perovskite is a promising light harvester for use in photovoltaic solar cells. In recent years, the power conversion efficiency of perovskite solar cells has been dramatically increased, making them a competitive source of renewable energy. An important parameter when designing high efficiency perovskite-based solar cells is the perovskite deposition, which must be performed to create complete coverage and optimal film thickness. This paper describes an in-depth study on two-step deposition, separating the perovskite deposition into two precursors. The effects of spin velocity, annealing temperature, dipping time, and methylammonium iodide concentration on the photovoltaic performance are studied. Observations include that current density is affected by changing the spin velocity, while the fill factor changes mainly due to the dipping time and methylammonium iodide concentration. Interestingly, the open circuit voltage is almost unaffected by these parameters. Hole conductor free perovskite solar cells are used in this work, in order to minimize other possible effects. This study provides better understanding and control over the perovskite deposition through highly efficient, low-cost perovskite-based solar cells

Stable high efficiency two-dimensional perovskite solar cells via cesium doping

KAUST Repository

Zhang, Xu

2017-08-15

Two-dimensional (2D) organic-inorganic perovskites have recently emerged as one of the most important thin-film solar cell materials owing to their excellent environmental stability. The remaining major pitfall is their relatively poor photovoltaic performance in contrast to 3D perovskites. In this work we demonstrate cesium cation (Cs) doped 2D (BA)(MA)PbI perovskite solar cells giving a power conversion efficiency (PCE) as high as 13.7%, the highest among the reported 2D devices, with excellent humidity resistance. The enhanced efficiency from 12.3% (without Cs) to 13.7% (with 5% Cs) is attributed to perfectly controlled crystal orientation, an increased grain size of the 2D planes, superior surface quality, reduced trap-state density, enhanced charge-carrier mobility and charge-transfer kinetics. Surprisingly, it is found that the Cs doping yields superior stability for the 2D perovskite solar cells when subjected to a high humidity environment without encapsulation. The device doped using 5% Cs degrades only ca. 10% after 1400 hours of exposure in 30% relative humidity (RH), and exhibits significantly improved stability under heating and high moisture environments. Our results provide an important step toward air-stable and fully printable low dimensional perovskites as a next-generation renewable energy source.

Evaluation of physics-based numerical modelling for diverse design architecture of perovskite solar cells

Science.gov (United States)

Mishra, A. K.; Catalan, Jorge; Camacho, Diana; Martinez, Miguel; Hodges, D.

2017-08-01

Solution processed organic-inorganic metal halide perovskite based solar cells are emerging as a new cost effective photovoltaic technology. In the context of increasing the power conversion efficiency (PCE) and sustainability of perovskite solar cells (PSC) devices, we comprehensively analyzed a physics-based numerical modelling for doped and un-doped PSC devices. Our analytics emphasized the role of different charge carrier layers from the view point of interfacial adhesion and its influence on charge extraction rate and charge recombination mechanism. Morphological and charge transport properties of perovskite thin film as a function of device architecture are also considered to investigate the photovoltaic properties of PSC. We observed that photocurrent is dominantly influenced by interfacial recombination process and photovoltage has functional relationship with defect density of perovskite absorption layer. A novel contour mapping method to understand the characteristics of current density-voltage (J-V) curves for each device as a function of perovskite layer thickness provide an important insight about the distribution spectrum of photovoltaic properties. Functional relationship of device efficiency and fill factor with absorption layer thickness are also discussed.

Two-phase behavior in strained thin films of hole-doped manganites

OpenAIRE

Biswas, Amlan; Rajeswari, M.; Srivastava, R. C.; Li, Y. H.; Venkatesan, T.; Greene, R. L.; Millis, A. J.

1999-01-01

We present a study of the effect of biaxial strain on the electrical and magnetic properties of thin films of manganites. We observe that manganite films grown under biaxial compressive strain exhibit island growth morphology which leads to a non-uniform distribution of the strain. Transport and magnetic properties of these films suggest the coexistence of two different phases, a metallic ferromagnet and an insulating antiferromagnet. We suggest that the high strain regions are insulating whi...

Spin-coupled charge dynamics in layered manganite crystals

CERN Document Server

Tokura, Y; Ishikawa, T

1998-01-01

Anisotropic charge dynamics has been investigated for single crystals of layered manganites, La sub 2 sub - sub 2 sub x Sr sub 1 sub + sub 2 sub x Mn sub 2 O sub 7 (0.3<=X<=0.5). Remarkable variations in the magnetic structure and in the charge-transport properties are observed by changing the doping level x . A crystal with x = 0.3 behaves like a 2-dimensional ferromagnetic metal in the temperature region between approx 90 K and approx 270 K and shows an interplane tunneling magnetoresistance at lower temperatures which is sensitive to the interplane magnetic coupling between the adjacent MnO sub 2 bilayers. Optical probing of these layered manganites has also clarified the highly anisotropic and incoherent charge dynamics.

Tolerance factor rules for Sr1-x-yCaxBayMnO3 perovskites

International Nuclear Information System (INIS)

Dabrowski, B.; Chmaissem, O.; Mais, J.; Kolesnik, S.; Jorgensen, J.D.; Short, S.

2003-01-01

Synthesis of new perovskite Sr 1-x-y Ca x Ba y MnO 3-δ compounds is described in detail and dependence of their phase stability and structural distortions on the tolerance factor is discussed. Oxygen contents have been measured over extended temperature and composition ranges. Neutron powder diffraction was used to precisely measure the A-O and Mn-O bond lengths and derive accurate interatomic distances [Ca-O], [Sr-O], [Ba-O], and [Mn-O]. By using these parameters instead of tabulated ionic radii we have derived the functional dependence of the tolerance factor t=t(x,y,T,δ) on composition, temperature, and oxygen content. At a fixed oxygen content, the tolerance factor is an increasing function of temperature as a result of greater thermal expansion of the average bond relative to the bond. We find that the stability of the perovskite phase at high temperature is governed, as expected, by the magnitude of tolerance factor (t≤1) which can be adjusted by controlling the oxygen content 3-δ. This dependence of the tolerance factor on oxygen content and temperature can be utilized to design synthesis conditions for the controlled formation of the new, kinetically stable, perovskite phases

Electronic structures near surfaces of perovskite type oxides

International Nuclear Information System (INIS)

Hara, Toru

2005-01-01

This work is intended to draw attention to the origin of the electronic structures near surfaces of perovskite type oxides. Deep states were observed by ultraviolet photoelectron spectroscopic measurements. The film thickness dependent electronic structures near surfaces of (Ba 0.5 Sr 0.5 )TiO 3 thin films were observed. As for the 117-308 nm thick (Ba 0.5 Sr 0.5 )TiO 3 films, deep states were lying at 0.20, 0.55, and 0.85 eV below the quasi-fermi level, respectively. However, as for the 40 nm thick (Ba 0.5 Sr 0.5 )TiO 3 film, the states were overlapped. The A-site doping affected electronic structures near surfaces of SrTiO 3 single crystals. No evolution of deep states in non-doped SrTiO 3 single crystal was observed. However, the evolution of deep states in La-doped SrTiO 3 single crystal was observed

Perovskite Thin Film Solar Cells Based on Inorganic Hole Conducting Materials

Directory of Open Access Journals (Sweden)

Pan-Pan Zhang

2017-01-01

Full Text Available Organic-inorganic metal halide perovskites have recently shown great potential for application, due to their advantages of low-cost, excellent photoelectric properties and high power conversion efficiency. Perovskite-based thin film solar cells have achieved a power conversion efficiency (PCE of up to 20%. Hole transport materials (HTMs are one of the most important components of perovskite solar cells (PSCs, having functions of optimizing interface, adjusting the energy match, and helping to obtain higher PCE. Inorganic p-type semiconductors are alternative HTMs due to their chemical stability, higher mobility, high transparency in the visible region, and applicable valence band (VB energy level. This review analyzed the advantages, disadvantages, and development prospects of several popular inorganic HTMs in PSCs.

Identifying open-volume defects in doped and undoped perovskite-type LaCoO3, PbTiO3, and BaTiO3

International Nuclear Information System (INIS)

Ghosh, Vinita J.; Nielsen, Bent; Friessnegg, Thomas

2000-01-01

Dopants, vacancies, and impurity-vacancy clusters have a substantial impact on the properties of perovskite-type metal oxides (general formula ABO 3 ). In order to determine synthesis and processing conditions that optimize the desirable properties of these materials a careful study of these defects is required. It is essential to identify the defects and to map the defect densities. Positron annihilation spectroscopy has often been used to identify vacancy-type defects. Calculations of the positron lifetime and Doppler-broadened profiles of the positron-electron annihilation radiation in undoped and doped LaCoO 3 , PbTiO 3 , and BaTiO 3 are reported, and compared with available experimental data. The results show that these positron techniques are excellent for studying open-volume defects, vacancy-impurity complexes, and for identifying the sublattice occupied by the dopants. (c) 2000 The American Physical Society

Chemical Origin of the Stability Difference between Copper(I)- and Silver(I)-Based Halide Double Perovskites.

Science.gov (United States)

Xiao, Zewen; Du, Ke-Zhao; Meng, Weiwei; Mitzi, David B; Yan, Yanfa

2017-09-25

Recently, Cu I - and Ag I -based halide double perovskites have been proposed as promising candidates for overcoming the toxicity and instability issues inherent within the emerging Pb-based halide perovskite absorbers. However, up to date, only Ag I -based halide double perovskites have been experimentally synthesized; there are no reports on successful synthesis of Cu I -based analogues. Here we show that, owing to the much higher energy level for the Cu 3d 10 orbitals than for the Ag 4d 10 orbitals, Cu I atoms energetically favor 4-fold coordination, forming [CuX 4 ] tetrahedra (X=halogen), but not 6-fold coordination as required for [CuX 6 ] octahedra. In contrast, Ag I atoms can have both 6- and 4-fold coordinations. Our density functional theory calculations reveal that the synthesis of Cu I halide double perovskites may instead lead to non-perovskites containing [CuX 4 ] tetrahedra, as confirmed by our material synthesis efforts. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Studi On Oxidation State Of U In Ba2NdUO6

International Nuclear Information System (INIS)

Firman Windarto, Hendri

1996-01-01

Ba 2 NdUO 6 is not of the important compounds that is formed from a solidification process for high level liquid waste using super high temperature method Ba 2 NdUO 6 has ordered perovskite structure. The objective of this study is to investigate oxidation state of U in Ba 2 NdUO 6 . The properties of Ba 2 NdUO 6 were observed by using Faraday-type torsion magnetometer and X-ray Photoelectron Spectrometer (XPS). The magnetic susceptibility measured in the temperature range of 4K to room temperature showed that the Ba 2 NdUO 6 is paramagnetism that obeys the Curie-Weiss law. The effective moment of Ba 2 NdUO 6 is 3.04 μB. The results of xPs spectrum showed that the peaks of U4f for Ba 2 NdUO 6 appeared exactly between binding energy of UO 2 and UO 3 . It can be concluded that Ba 2 NdUO 6 has binding energy peaks corresponding to pentavalent uranium

Hexagonal perovskites with cationic vacancies. 27. Systems Ba/sub 4-x/Sr/sub x/B/sup II/Re/sub 2/vacantO/sub 12/, Ba/sub 4/B/sub 1-x//sup II/Ca/sub x/Re/sub 2/vacantO/sub 12/, and Ba/sub 4-x/La/sub x/B/sup II/Re/sub 2-x/W/sub x/vacantO/sub 12/ with B/sup II/ = Co, Ni

Energy Technology Data Exchange (ETDEWEB)

Herrmann, M; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-05-01

In the systems Ba/sub 4-x/Sr/sub x/B/sup II/Re/sub 2/vacantO/sub 12/, Ba/sub 4/B/sub 1-x//sup II/Ca/sub x/Re/sub 2/vacantO/sub 12/ and Ba/sub 4-x/La/sub x/B/sup II/Re/sub 2-x/W/sub x/va/sub x/antO/sub 12/ (B/sup II/ =Co, Ni) hexagonal perovskites with a rhombohedral 12 L structure (general composition A/sub 4/BM/sub 2/vacantO/sub 12/; sequence (hhcc)/sub 3/; space group R3m) are observed. With the exception of Ba/sub 4/NiRe/sub 2/vacantO/sub 12/ the octahedral net consists of BO/sub 6/ single octahedra and M/sub 2/vacantO/sub 12/ face connected blocks (type 1). In type 2 (Ba/sub 4/NiRe/sub 2/vacantO/sub 12/) the M ions are located in the single octahedra and in the center of the groups of three face connected octahedra. The two outer positions of the latter are occupied by B ions and vacancies in the ratio 1:1. The difference between type 1 and 2 are discussed by means of the vibrational and diffuse reflectance spectra.

Distributed Feedback Laser Based on Single Crystal Perovskite

Science.gov (United States)

Sun, Shang; Xiao, Shumin; Song, Qinghai

2017-06-01

We demonstrate a single crystal perovskite based, with grating-structured photoresist on top, highly polarized distributed feedback laser. A lower laser threshold than the Fabry-Perot mode lasers from the same single crystal CH3NH3PbBr3 microplate was obtained. Single crystal CH3NH3PbBr3 microplates was synthesized with one-step solution processed precipitation method. Once the photoresist on top of the microplate was patterned with electron beam, the device was realized. This one-step fabrication process utilized the advantage of single crystal to the greatest extend. The ultra-low defect density in single crystalline microplate offer an opportunity for lower threshold lasing action compare with poly-crystal perovskite films. In the experiment, the lasing action based on the distributed feedback grating design was found with lower threshold and higher intensity than the Fabry-Perot mode lasers supported by the flat facets of the same microplate.

Displacement-type ferroelectric transition with magnetic Mn ions in perovskite Sr1-xBaxMnO3

Science.gov (United States)

Sakai, Hideaki; Fujioka, Jun; Fukuda, Tatsuo; Okuyama, Daisuke; Hashizume, Daisuke; Kagawa, Fumitaka; Nakao, Hironori; Murakami, Youich; Arima, Takahisa; Baron, Alfred Q. R.; Taguchi, Yasujiro; Tokura, Yoshinori

2012-02-01

Almost all the proper ferroelectrics with a perovskite structure discovered so far have no d-electrons in the off-center transition metal site, as exemplified by BaTiO3 and Pb(Zr,Ti)O3. This empirical d^0 rule is incompatible with the emergence of magnetism and has significantly restricted the variety of multiferroic materials. In this work, we have discovered a displacement-type ferroelectric transition originating from off-center Mn^4+ ions in antiferromagnetic Mott insulators Sr1-xBaxMnO3. As Ba concentration increases, the perovskite lattice shows the typical soft mode dynamics, and the ferroelectricity shows up for x .45. In addition to the large polarization and high transition temperature comparable to BaTiO3, we demonstrate that the magnetic order suppresses the ferroelectric lattice dilation by ˜70% and increases the soft-phonon energy by ˜50%, indicating gigantic magnetoelectric effects [1]. This work was supported by the FIRST program on ``Quantum Science on Strong Correlation''. [4pt] [1] H. Sakai et al., Phys. Rev. Lett. 107, 137601 (2011).

Low-Threshold Lasing from 2D Homologous Organic-Inorganic Hybrid Ruddlesden-Popper Perovskite Single Crystals.

Science.gov (United States)

Raghavan, Chinnambedu Murugesan; Chen, Tzu-Pei; Li, Shao-Sian; Chen, Wei-Liang; Lo, Chao-Yuan; Liao, Yu-Ming; Haider, Golam; Lin, Cheng-Chieh; Chen, Chia-Chun; Sankar, Raman; Chang, Yu-Ming; Chou, Fang-Cheng; Chen, Chun-Wei

2018-05-09

Organic-inorganic hybrid two-dimensional (2D) perovskites have recently attracted great attention in optical and optoelectronic applications due to their inherent natural quantum-well structure. We report the growth of high-quality millimeter-sized single crystals belonging to homologous two-dimensional (2D) hybrid organic-inorganic Ruddelsden-Popper perovskites (RPPs) of (BA) 2 (MA) n-1 Pb n I 3 n+1 ( n = 1, 2, and 3) by a slow evaporation at a constant-temperature (SECT) solution-growth strategy. The as-grown 2D hybrid perovskite single crystals exhibit excellent crystallinity, phase purity, and spectral uniformity. Low-threshold lasing behaviors with different emission wavelengths at room temperature have been observed from the homologous 2D hybrid RPP single crystals. Our result demonstrates that solution-growth homologous organic-inorganic hybrid 2D perovskite single crystals open up a new window as a promising candidate for optical gain media.

Synthesis, structure and total conductivity of A-site doped LaTiO{sub 3−δ} perovskites

Energy Technology Data Exchange (ETDEWEB)

Bradha, M. [Nanotech Research Facility, PSG Institute of Advanced Studies, Coimbatore 641 004, TN (India); Hussain, S.; Chakravarty, Sujay [UGC-DAE CSR, Kalpakkam Node, Kokilamedu 603 104, TN (India); Amarendra, G. [UGC-DAE CSR, Kalpakkam Node, Kokilamedu 603 104, TN (India); Indira Gandhi Centre for Atomic Research, Kalpakkam 603 102, TN (India); Ashok, Anuradha, E-mail: anu.machina@gmail.com [Nanotech Research Facility, PSG Institute of Advanced Studies, Coimbatore 641 004, TN (India)

2015-03-25

Highlights: • A-site divalent alkaline earth metal doped LaTiO{sub 3−δ} perovskites were synthesised by sol–gel method. • Structural studies revealed no change in crystal symmetry but change in cell dimensions after doping. • After doping divalent cations in A-site, an enhancement in total conductivity was observed in LaTiO{sub 3−δ}. • Temperature dependent electrical property was observed in all synthesised perovskites. - Abstract: Oxygen deficient perovskites LaTiO{sub 3−δ} and La{sub 0.8}A{sub 0.2}TiO{sub 3−δ} (A = Ba, Sr, Ca) were synthesized by sol–gel method. The effect of divalent dopants on microstructure is investigated in detail using X-ray Diffraction (XRD) and Scanning Electron Microscopy (SEM). The oxidation states of La{sup 3+} and Ti{sup 3+} ions have been deduced using X-ray Photoelectron Spectroscopy (XPS). Impedance spectroscopy was used to analyze the total conductivity, an increase in conductivity was observed after doping in the A-site with divalent cations Ba, Ca and Sr. Among the investigated perovskites La{sub 0.8}Ca{sub 0.2}TiO{sub 3−δ} exhibited the maximum conductivity of 1.22 × 10{sup −2} S/cm in air atmosphere at 650 °C.

Crystal and defect chemistry influences on band gap trends in alkaline earth perovskites

International Nuclear Information System (INIS)

Lee, Soonil; Woodford, William H.; Randall, Clive A.

2008-01-01

A number of perovskites with A-site alkaline earth chemistries being Ca, Sr, and Ba, and tetravalent cations including Ce, Zr, and Ti are measured for optical band gap and found to vary systematically with tolerance factor and lattice volume within limits defined by the chemistry of the octahedral site. This paper also focuses on the BaTiO 3 system, considering equilibrated nonstoichiometries, and determines the changes in band gap with respect to Ba/Ti ratios. It was found that the optical band gap changes in the solid solution regime and is invariant in the second phase regions, as would be expected. In the cases of Ba/Ti 1.0 stoichiometries, there is a distinct Urbach tail and the trend with lattice volume no longer holds. It is inferred that the V Ti q prime-2V O partial Schottky complex controls the band gap trend with Ba-rich nonstoichiometries

The effect of MgO doping on the structure, magnetic and magnetotransport properties of La0.8Sr0.2MnO3 composite

International Nuclear Information System (INIS)

Aezami, A.; Eshraghi, M.; Kameli, P.; Salamati, H.

2007-01-01

Full text: The recent observation of anomalously Colossal Magnetoresistance (CMR) in the La 1-x A x MnO 3 (A = Sr, Ca, Ba or vacancies) system, has spurred renewed interest in studying these doped perovskite manganites. The properties of these materials are explained by double exchange theory of Zener and electron lattice interaction. However, the intrinsic CMR effect in the perovskite manganites is found on a magnetic field scale of several teslas and a narrow temperature range. It was found that, the presence of grain boundaries in polycrystalline samples leads to a large Low Field Magnetoresistance (LFMR) effect over a wide temperature range below the Curie temperature Tc. To achieve LFMR, different properties are considered. One of them is mixing of these CMR materials with secondary insulator phases. In this work, La 0.8 Sr 0.2 MnO 3 (LSMO) was selected as matrix material and MgO as a dopant. The La 0.8 Sr 0.2 MnO 3/x MgO samples with x= 0, 1, 2, 3, 5 and 7.5 Wt.% were prepared by Solid State Reaction method. Studies show that most part of the MgO goes into the perovskite lattice and Mg substituted Mn in LSMO and remainder segregates as a separate phase at the grain boundaries. Results also show that the value of MR decreases for all the doping levels. It seems that, due to the almost same ionic radii of Mg2+ and Mn2+, and at the higher sintering temperature, Mg2+ mostly replaced Mn3+ and weakens double exchange interaction. This speculation has been confirmed by XRD, SEM, susceptibility, resistivity and magnetoresistance analysis and measurements. (authors)

Photoluminescence of trivalent rare earths in perovskite stacking polytypes Ba/sub 2/Lasub(2-x)REsub(x)/sup 3 +/MgW/sub 2/vacantO/sub 12/, Ba/sub 6/Ysub(2-x)REsub(x)/sup 3 +/W/sub 3/vacantO/sub 18/, and Sr/sub 8/SrGdsub(2-x)REsub(x)/sup 3 +/W/sub 4/vacantO/sub 24/

Energy Technology Data Exchange (ETDEWEB)

Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-12-01

Rhombohedral 12 L staking polytypes Ba/sub 2/Lasub(2-x)REsub(x)/sup 3 +/MgW/sub 2/vacantO/sub 12/ show with RE/sup 3 +/ = Pr, Sm, Eu, Tb, Dy, Ho, Er, Tm; the 18 L stacking polytypes Ba/sub 6/Ysub(2-x)REsub(x)/sup 3 +/W/sub 3/vacantO/sub 18/ and the polymorphic perovskites Sr/sub 8/SrGdsub(2-x)REsub(x)/sup 3 +/W/sub 4/vacantO/sub 24/ with RE/sup 3 +/ = Sm, Eu, Dy, Ho, Er visible photoluminescence. The concentration dependence and the influence of the coordination number of the rare earth are reported.

Hybrid perovskites: Approaches towards light-emitting devices

KAUST Repository

Alias, Mohd Sharizal

2016-10-06

The high optical gain and absorption of organic-inorganic hybrid perovskites have attracted extensive research for photonic device applications. Using the bromide halide as an example, we present key approaches of our work towards realizing efficient perovskites based light-emitters. The approaches involved determination of optical constants for the hybrid perovskites thin films, fabrication of photonic nanostructures in the form of subwavelength grating reflector patterned directly on the hybrid perovskites as light manipulation layer, and enhancing the emission property of the hybrid perovskites by using microcavity structure. Our results provide a platform for realization of hybrid perovskites based light-emitting devices for solid-state lighting and display applications. © 2016 IEEE.

Hybrid perovskites: Approaches towards light-emitting devices

KAUST Repository

Alias, Mohd Sharizal; Dursun, Ibrahim; Priante, Davide; Saidaminov, Makhsud I.; Ng, Tien Khee; Bakr, Osman; Ooi, Boon S.

2016-01-01

The high optical gain and absorption of organic-inorganic hybrid perovskites have attracted extensive research for photonic device applications. Using the bromide halide as an example, we present key approaches of our work towards realizing efficient perovskites based light-emitters. The approaches involved determination of optical constants for the hybrid perovskites thin films, fabrication of photonic nanostructures in the form of subwavelength grating reflector patterned directly on the hybrid perovskites as light manipulation layer, and enhancing the emission property of the hybrid perovskites by using microcavity structure. Our results provide a platform for realization of hybrid perovskites based light-emitting devices for solid-state lighting and display applications. © 2016 IEEE.

Total energy calculation of perovskite, BaTiO3, by self-consistent

Indian Academy of Sciences (India)

Unknown

rgy, lattice constant, density of states, band structure etc using self-consistent tight binding method. ... share the paraelectric simple-cubic perovskite structure .... of neighbouring ions. In order to find the ground state, we solve the variation problem, minimizing Etot with respect to the coefficients, .*,λµ ic. The final equation is.

Solar cells with perovskite-based light sensitization layers

Science.gov (United States)

Kanatzidis, Mercouri G.; Chang, Robert P.H.; Stoumpos, Konstantinos; Lee, Byunghong

2018-05-08

Solar cells are provided which comprise an electron transporting layer and a light sensitizing layer of perovskite disposed over the surface of the electron transporting layer. The perovskite may have a formula selected from the group consisting of A2MX6, Z2MX6 or YMX6, wherein A is an alkali metal, M is a metal or a metalloid, X is a halide, Z is selected from the group consisting of a primary ammonium, an iminium, a secondary ammonium, a tertiary ammonium, and a quaternary ammonium, and Y has formula Mb(L)3, wherein Mb is a transition metal in the 2+ oxidation state L is an N--N neutral chelating ligand. Methods of making the solar cells are also provided, including methods based on electrospray deposition.

Microstructure, interparticle interactions and magnetotransport of manganite-polyaniline nanocomposites

Energy Technology Data Exchange (ETDEWEB)

Romero, Mariano; Faccio, Ricardo; Pardo, Helena [Centro NanoMat/Cryssmat Lab, DETEMA, Facultad de Química, Universidad de la República (Uruguay); Centro Interdisciplinario de Nanotecnología, Química y Física de Materiales, Espacio Interdisciplinario, Universidad de la República (Uruguay); Tumelero, Milton A. [Laboratorio de filmes finos e superficies, Departamento de Física, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Campos Plá Cid, Cristiani [Laboratorio Central de Microscopia Electronica, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Pasa, André A. [Laboratorio de filmes finos e superficies, Departamento de Física, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Laboratorio Central de Microscopia Electronica, Universidad Federal de Santa Catarina, Florianópolis (Brazil); Mombrú, Álvaro W., E-mail: amombru@fq.edu.uy [Centro NanoMat/Cryssmat Lab, DETEMA, Facultad de Química, Universidad de la República (Uruguay); Centro Interdisciplinario de Nanotecnología, Química y Física de Materiales, Espacio Interdisciplinario, Universidad de la República (Uruguay)

2016-03-01

In this report, we present the study on the microstructure and interparticle interactions of manganite-polyaniline nanocomposites using grazing incidence small angle X-ray scattering (SAXS). In order to determine the nanoparticles mean diameter and correlation distances, data analysis was performed using the Guinier and Beaucage fits, in good agreement with transmission electron microscopy and X-ray diffraction analysis. The analysis of the interference functions revealed the existence of attractive interactions between nanoparticles. The nanocomposites with higher manganite concentration showed best fitting using the sticky hard sphere approximation. A weakening in the attractive interaction with increasing the dilution of nanoparticles in the polymer matrix was observed until a critical volume fraction (ϕ{sub c} ∼ 0.4) is reached, upon which the hard sphere approximation showed best fitting. The interaction potentials were estimated at room temperature revealing a decrease in the depth and width of the square well with increasing nanoparticle dilution. Coercive field and remanent magnetization showed a decrease with increasing polymer addition suggesting the declining of dipole–dipole interactions, in agreement with SAXS analysis. Magnetoresistance also showed an enhancement that could be probably associated to the decrease in the dipole–dipole interactions between ferromagnetic La{sub 2/3}Sr{sub 1/3}MnO{sub 3} (LSMO) nanoparticles at a critical separation distance in these nanocomposites. - Highlights: • A SAXS study on the microstructure of manganite-polyaniline nanocomposites is reported. • We report the presence of attractive interactions for the composites with higher concentration in manganite. • Interparticle dipole–dipole interactions were estimated by means of the SAXS interference function. • Coercive field and remanent magnetization studies showed agreement with SAXS analysis. • Magnetotransport showed an enhancement in relation to

Intrinsic and extrinsic magnetic properties of the naturally layered manganites

International Nuclear Information System (INIS)

Berger, A.; Mitchell, J. F.; Miller, D. J.; Jiang, J. S.; Bader, S. D.

1999-01-01

Structural and magnetic properties of the two-layered Ruddlesden-Popper phase SrO(La 1-x Sr x MnO 3 ) 2 with x = 0.3--0.5 are highlighted. Intrinsic properties of these naturally layered manganites include a colossal magnetoresistance, a composition-dependent magnetic anisotropy, and almost no remanence. Above the Curie temperature there is a non-vanishing extrinsic magnetization attributed to intergrowths (stacking faults in the layered structure). These lattice imperfections consist of additional or missing manganite layers, as observed in transmission electron microscopy. Their role in influencing the properties of the host material is highlighted

Ab Initio Calculations for the BaTiO3 (001) Surface Structure

Institute of Scientific and Technical Information of China (English)

XUE Xu-Yan; WANG Chun-Lei; ZHONG Wei-Lie

2004-01-01

@@ The ab initio method within the local density approximation is applied to calculate cubic BaTiO3 (001) surface relaxation and rumpling for two different terminations (BaO and TiO2). Our calculations demonstrate that cubic perovskite BaTiO3 crystals possess surface polarization, accompanied by the presence of the relevant electric field.We analyse their electronic structures (band structure, density of states and the electronic density redistribution with emphasis on the covalency effects). The results are also compared with that of the previous ab initio calculations. Considerable increases of Ti-O chemical bond covalency nearby the surface have been observed.The band gap reduces especially for the TiO2 termination.

Structural and magnetic properties of layered perovskite manganite LaCaBiMn2O7

Directory of Open Access Journals (Sweden)

Oubla M.

2013-09-01

Full Text Available The layered perovskite oxide, LaCaBiMn2O7, has been prepared by the conventional aqueous solution precipitation method. The powder X-ray diffraction studies suggest that the phase crystallizes with tetragonal unit cell in the space group I4/mmm. The magnetic properties suggest that the ferromagnetic interactions are dominant and manganese ion in the phase is present in mixed valence states Mn3+and Mn4+. The thermomagnetization curve is found to obey the Bloch law. Spin wave stiffness constant D and the approximate value for JMnMnexchange interaction were estimated from the experimental results.

Magnetoelectric coupling in multiferroic BaTiO3-CoFe2O4 composite nanofibers via electrospinning

Science.gov (United States)

Fu, Bi; Lu, Ruie; Gao, Kun; Yang, Yaodong; Wang, Yaping

2015-07-01

Magnetoelectric (ME) coupling in Pb-based multiferroic composites has been widely investigated due to the excellent piezoelectric property of lead zirconate titanate (PZT). In this letter, we report a strategy to create a hybrid Pb-free ferroelectric and ferromagnetic material and detect its ME coupling at the nanoscale. Hybrid Pb-free multiferroic BaTiO3-CoFe2O4 (BTO-CFO) composite nanofibers (NFs) were generated by sol-gel electrospinning. The perovskite structure of BTO and the spinel structure of CFO nanograins were homogenously distributed in the composite NFs and verified by bright-field transmission electron microscopy observations along the perovskite [111] zone axis. Multiferroicity was confirmed by amplitude-voltage butterfly curves and magnetic hysteresis loops. ME coupling was observed in terms of a singularity on a dM/dT curve at the ferroelectric Curie temperature (TC) of BaTiO3. The lateral ME coefficient was investigated by the evolution of the piezoresponse under an external magnetic field of 1000 Oe and was estimated to be α31 =0.78× 104 \\text{mV cm}-1 \\text{Oe}-1 . These findings could enable the creation of nanoscale Pb-free multiferroic composite devices.

Efficient Regular Perovskite Solar Cells Based on Pristine [70]Fullerene as Electron-Selective Contact.

Science.gov (United States)

Collavini, Silvia; Kosta, Ivet; Völker, Sebastian F; Cabanero, German; Grande, Hans J; Tena-Zaera, Ramón; Delgado, Juan Luis

2016-06-08

[70]Fullerene is presented as an efficient alternative electron-selective contact (ESC) for regular-architecture perovskite solar cells (PSCs). A smart and simple, well-described solution processing protocol for the preparation of [70]- and [60]fullerene-based solar cells, namely the fullerene saturation approach (FSA), allowed us to obtain similar power conversion efficiencies for both fullerene materials (i.e., 10.4 and 11.4 % for [70]- and [60]fullerene-based devices, respectively). Importantly, despite the low electron mobility and significant visible-light absorption of [70]fullerene, the presented protocol allows the employment of [70]fullerene as an efficient ESC. The [70]fullerene film thickness and its solubility in the perovskite processing solutions are crucial parameters, which can be controlled by the use of this simple solution processing protocol. The damage to the [70]fullerene film through dissolution during the perovskite deposition is avoided through the saturation of the perovskite processing solution with [70]fullerene. Additionally, this fullerene-saturation strategy improves the performance of the perovskite film significantly and enhances the power conversion efficiency of solar cells based on different ESCs (i.e., [60]fullerene, [70]fullerene, and TiO2 ). Therefore, this universal solution processing protocol widens the opportunities for the further development of PSCs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of the structure and ferroelectric behavior of BaBi4-xLaxTi4O15 ceramics

Science.gov (United States)

Khokhar, Anita; Goyal, Parveen K.; Thakur, O. P.; Sreenivas, K.

2015-06-01

The structure and ferroelectric properties of Lanthanum substituted barium bismuth titanate BaBi4-xLaxTi4O15 (0 ≤ x ≤ 0.5) ceramics prepared by solid-state reaction method have been investigated. X-ray diffraction (XRD) confirms the formation of a single phase material. The distribution of lanthanum into the perovskite layers and (Bi2O2)2+ layers of BaBi4Ti4O15 ceramics have been revealed through Raman spectroscopy. At lower value of x, it is seen that La3+ ions prefer to substitute A-site Bi3+ ions in the perovskite layers while for higher x values, La3+ ions get incorporated into the (Bi2O2)2+ layers. A critical La content of x ˜ 0.2 in BaBi4-xLaxTi4O15 is seen to exhibit a large remnant polarization (Pr) with low coercive field (Ec). The improvement in the ferroelectric properties of La substituted BaBi4Ti4O15 ceramics has been explained in terms of changing oxygen vacancy concentration and structural relaxation. Tunable ferroelectric materials can be obtained by manipulating the doping amount of lanthanum ion.

Engineering magnetism at functional oxides interfaces: manganites and beyond.

Science.gov (United States)

Yi, Di; Lu, Nianpeng; Chen, Xuegang; Shen, Shengchun; Yu, Pu

2017-11-08

The family of transition metal oxides (TMOs) is a large class of magnetic materials that has been intensively studied due to the rich physics involved as well as the promising potential applications in next generation electronic devices. In TMOs, the spin, charge, orbital and lattice are strongly coupled, and significant advances have been achieved to engineer the magnetism by different routes that manipulate these degrees of freedom. The family of manganites is a model system of strongly correlated magnetic TMOs. In this review, using manganites thin films and the heterostructures in conjunction with other TMOs as model systems, we review the recent progress of engineering magnetism in TMOs. We first discuss the role of the lattice that includes the epitaxial strain and the interface structural coupling. Then we look into the role of charge, focusing on the interface charge modulation. Having demonstrated the static effects, we continue to review the research on dynamical control of magnetism by electric field. Next, we review recent advances in heterostructures comprised of high T c cuprate superconductors and manganites. Following that, we discuss the emergent magnetic phenomena at interfaces between 3d TMOs and 5d TMOs with strong spin-orbit coupling. Finally, we provide our outlook for prospective future directions.

What makes the difference in perovskite titanates?

Science.gov (United States)

Bussmann-Holder, Annette; Roleder, Krystian; Ko, Jae-Hyeon

2018-06-01

We have investigated in detail the lattice dynamics of five different perovskite titanates ATiO3 (A = Ca, Sr, Ba, Pb, Eu) where the A sites are occupied by +2 ions. In spite of the largely ionic character of these ions, the properties of these compounds differ substantially. They range from order/disorder like, to displacive ferroelectric, quantum paraelectric, and antiferromagnetic. All compounds crystallize in the cubic structure at high temperature and undergo structural phase transitions to tetragonal symmetry, partly followed by further transitions to lower symmetries. Since the TiO6 moiety is the essential electronic and structural unit, the question arises, what makes the significant difference between them. It is shown that the lattice dynamics of these compounds are very different, and that mode-mode coupling effects give rise to many distinct properties. In addition, the oxygen ion nonlinear polarizability plays a key role since it dominates the anharmonicity of these perovskites and determines the structural instability.

Multicolor fluorescent light-emitting diodes based on cesium lead halide perovskite quantum dots

Energy Technology Data Exchange (ETDEWEB)

Wang, Peng [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012 (China); Bai, Xue, E-mail: baix@jlu.edu.cn, E-mail: yuzhang@jlu.edu.cn; Sun, Chun; Zhang, Xiaoyu; Zhang, Yu, E-mail: baix@jlu.edu.cn, E-mail: yuzhang@jlu.edu.cn [State Key Laboratory on Integrated Optoelectronics, College of Electronic Science and Engineering, Jilin University, Changchun 130012 (China); Zhang, Tieqiang [State Key Laboratory of Superhard Materials, College of Physics, Jilin University, Changchun 130012 (China)

2016-08-08

High quantum yield, narrow full width at half-maximum and tunable emission color of perovskite quantum dots (QDs) make this kind of material good prospects for light-emitting diodes (LEDs). However, the relatively poor stability under high temperature and air condition limits the device performance. To overcome this issue, the liquid-type packaging structure in combination with blue LED chip was employed to fabricate the fluorescent perovskite quantum dot-based LEDs. A variety of monochromatic LEDs with green, yellow, reddish-orange, and red emission were fabricated by utilizing the inorganic cesium lead halide perovskite quantum dots as the color-conversion layer, which exhibited the narrow full width at half-maximum (<35 nm), the relatively high luminous efficiency (reaching 75.5 lm/W), and the relatively high external quantum efficiency (14.6%), making it the best-performing perovskite LEDs so far. Compared to the solid state LED device, the liquid-type LED devices exhibited excellent color stability against the various working currents. Furthermore, we demonstrated the potential prospects of all-inorganic perovskite QDs for the liquid-type warm white LEDs.

Multicolor fluorescent light-emitting diodes based on cesium lead halide perovskite quantum dots

International Nuclear Information System (INIS)

Wang, Peng; Bai, Xue; Sun, Chun; Zhang, Xiaoyu; Zhang, Yu; Zhang, Tieqiang

2016-01-01

High quantum yield, narrow full width at half-maximum and tunable emission color of perovskite quantum dots (QDs) make this kind of material good prospects for light-emitting diodes (LEDs). However, the relatively poor stability under high temperature and air condition limits the device performance. To overcome this issue, the liquid-type packaging structure in combination with blue LED chip was employed to fabricate the fluorescent perovskite quantum dot-based LEDs. A variety of monochromatic LEDs with green, yellow, reddish-orange, and red emission were fabricated by utilizing the inorganic cesium lead halide perovskite quantum dots as the color-conversion layer, which exhibited the narrow full width at half-maximum (<35 nm), the relatively high luminous efficiency (reaching 75.5 lm/W), and the relatively high external quantum efficiency (14.6%), making it the best-performing perovskite LEDs so far. Compared to the solid state LED device, the liquid-type LED devices exhibited excellent color stability against the various working currents. Furthermore, we demonstrated the potential prospects of all-inorganic perovskite QDs for the liquid-type warm white LEDs.

On magnetic ordering in heavily sodium substituted hole doped lanthanum manganites

Energy Technology Data Exchange (ETDEWEB)

Sethulakshmi, N. [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India); Unnimaya, A.N. [Centre for Materials for Electronic Technology (CMET), Thrissur 680581, Kerala (India); Al-Omari, I.A.; Al-Harthi, Salim [Department of Physics, Sultan Qaboos University, PC 123 Muscat (Oman); Sagar, S. [Government College for Women, Thiruvananthapuram 695014, Kerala (India); Thomas, Senoy [Materials Science and Technology Division, National Institute for Interdisciplinary Science and Technology, Thiruvananthapuram 695019, Kerala (India); Srinivasan, G. [Department of Physics, Oakland University, Rochester (United States); Anantharaman, M.R., E-mail: mraiyer@yahoo.com [Department of Physics, Cochin University of Science and Technology, Cochin 682022, Kerala (India)

2015-10-01

Mixed valence manganite system with monovalent sodium substituted lanthanum manganites form the basis of the present work. Lanthanum manganites belonging to the series La{sub 1−x}Na{sub x}MnO{sub 3} with x=0.5–0.9 were synthesized using modified citrate gel method. Variation of lattice parameters and unit cell volume with Na concentration were analyzed and the magnetization measurements indicated ferromagnetic ordering in all samples at room temperature. Low temperature magnetization behavior indicated that all samples exhibit antiferromagnetism along with ferromagnetism and it has also been observed that antiferromagnetic ordering dominates ferromagnetic ordering as concentration is increased. Evidence for such a magnetic inhomogeneity in these samples has been confirmed from the variation in Mn{sup 3+}/Mn{sup 4+} ion ratio from X-ray Photoelectron Spectroscopy and from the absorption peak studies using Ferromagnetic Resonance Spectroscopy. - Highlights: • Higher substitution of more than 50 percent of monovalent ion, sodium for La sites in lanthanum manganites scarce in literature. • Structural studies using XRD and further structure refinement by Rietveld refinement confirmed orthorhombic pbnm spacegroup. • Ferromagnetic behavior at room temperature with saturation magnetization decreasing with increase in sodium concentration. • M vs T measurements using FC ZFC proved coexisting FM/AFM behavior arising from exchange interactions between different valence states of Mn ions. • Disparity in ratio of Mn valence ions indicated presence of vacancies providing the role of vacancies and oxygen stoichiometry in deciding magnetic inhomogeneity.

Electronically soft phases in manganites.

Science.gov (United States)

Milward, G C; Calderón, M J; Littlewood, P B

2005-02-10

The phenomenon of colossal magnetoresistance in manganites is generally agreed to be a result of competition between crystal phases with different electronic, magnetic and structural order; a competition which can be strong enough to cause phase separation between metallic ferromagnetic and insulating charge-modulated states. Nevertheless, closer inspection of phase diagrams in many manganites reveals complex phases where the two order parameters of magnetism and charge modulation unexpectedly coexist. Here we show that such experiments can be naturally explained within a phenomenological Ginzburg-Landau theory. In contrast to models where phase separation originates from disorder or as a strain-induced kinetic phenomenon, we argue that magnetic and charge modulation coexist in new thermodynamic phases. This leads to a rich diagram of equilibrium phases, qualitatively similar to those seen experimentally. The success of this model argues for a fundamental reinterpretation of the nature of charge modulation in these materials, from a localized to a more extended 'charge-density wave' picture. The same symmetry considerations that favour textured coexistence of charge and magnetic order may apply to many electronic systems with competing phases. The resulting 'electronically soft' phases of matter with incommensurate, inhomogeneous and mixed order may be general phenomena in correlated systems.

Stable, easily sintered BaCe0.5Zr0.3Y0.16Zn0.04O3-δ electrolyte-based proton-conducting solid oxide fuel cells by gel-casting and suspension spray

International Nuclear Information System (INIS)

Lin Bin; Dong Yingchao; Wang Songlin; Fang Daru; Ding Hanping; Zhang Xiaozhen; Liu Xingqin; Meng Guangyao

2009-01-01

Protonic ceramic membrane fuel cells (PCMFCs) based on oxide proton conductors exhibit more advantages than traditional solid oxide fuel cells (SOFCs) based on oxygen-ion conducting electrolytes, such as low activation energy and high energy efficiency. In order to develop a simple and cost-effective route to fabricate PCMFCs with SrCo 0.9 Sb 0.1 O 3-δ (SCS) cubic perovskite cathode, a dense BaCe 0.5 Zr 0.3 Y 0.16 Zn 0.04 O 3-δ (BCZYZn) electrolyte was fabricated in situ metal oxide on a porous anode support by gel-casting and suspension spray, which is cost-effective, easy to realize, and suitable for mass-production. The key part of this process is to directly spray well-mixed suspension of BaCO 3 , CeO 2 , ZrO 2 , Y 2 O 3 and ZnO instead of pre-synthesized BCZYZn ceramic powder on the anode substrate. With SCS cubic perovskite cathode synthesized by gel-casting on the bi-layer, single cells were assembled and tested with H 2 as fuel and the static air as oxidant. An open-circuit potential of 0.987 V, a maximum power density of 364 mW cm -2 , and a low polarization resistance of the electrodes of 0.07 Ω cm 2 was achieved at 700 deg. C.

Estudio AB-Initio de las propiedades estructurales y electrónicas de la doble Perovskita Ba2InTaO6

Directory of Open Access Journals (Sweden)

Crispulo Enrique Deluque-Toro

2013-01-01

Full Text Available The double Perovskites materials with the formula A2 BB’O6 has been studied thoroughly in the past years due to its versatility, which allow to include the alkaline earth ions in A sites and transition metals in B and B’sites, giving origin to several physical properties with various industrials applications. In this work the structural and electronic properties of Ba2 InTaO6 are studied, material that is particularly interesting due to its possible application to the development of dielectric resonators and microwave signal filters on mobile phones and other wireless devices. Using ab-initio computational model, based on the Density Funtional Theory (DFT, and starting from spacial group Fm-3m, we calculate lattice parameters, equilibrium energies and equations of state among other quantities. The energy minimization as a function of volume allows to obtain a attice constant of 15.861 Bohr. The results of electronic density of states (DOS show that the double Perovskite Ba2 InTaO6 has an indirect gap of ~ 4.25 eV.

Transparent and flexible photodetectors based on CH3NH3PbI3 perovskite nanoparticles

Science.gov (United States)

Jeon, Young Pyo; Woo, Sung Jun; Kim, Tae Whan

2018-03-01

Transparent and flexible photodetectors (PDs) based on CH3NH3PbI3 perovskite nanoparticles (NPs) were fabricated by using co-evaporation of methyl ammonium iodide and lead iodide. X-ray diffraction patterns and high-resolution transmission electron microscopy images demonstrated the formation of perovskite NPs. The optical transmittance of the perovskite NPs/glass was above 80% over the entire range of visible wavelengths, indicative of high transparency. The PDs based on CH3NH3PbI3 perovskite NPs were sensitive to a broad range of visible light from 450 to 650 nm. The currents in the PDs under exposure to red, green, and blue light-emitting diodes were enhanced to 5, 10, and 20 times that of the PD in the dark, respectively. The rise and the decay times of the PDs were 50 and 120 μs. The current in the perovskite NP PD on a polyethylene terephthalate substrate was enhanced by approximately 69% when the NP PD was exposed to a blue LED emitting at a wavelength of 459 nm. Despite multiple bending, the transparent and flexible PDs based on methyl ammonium iodide and lead iodide NPs showed reproducibility and high stability in performance.

A possible phase separation scenario observed in perovskite manganites under high pressure

CERN Document Server

Wang Xin; Pan Yue Wu; Zou Guang Tian

2002-01-01

Energy-dispersive x-ray diffraction measurements have been carried out in the perovskite La sub 0 sub . sub 5 Ca sub 0 sub . sub 5 MnO sub 3 and bismuth-doped La sub 0 sub . sub 2 sub 5 Bi sub 0 sub . sub 2 sub 5 Ca sub 0 sub . sub 5 MnO sub 3 under hydrostatic pressure in a diamond cell. On the substitution of La sup 3 sup + ion with Bi sup 3 sup + ion, a shoulder peak appears in the observed main peak of La sub 0 sub . sub 2 sub 5 Bi sub 0 sub . sub 2 sub 5 Ca sub 0 sub . sub 5 MnO sub 3 at 43.9 GPa, but not in that of La sub 0 sub . sub 5 Ca sub 0 sub . sub 5 MnO sub 3 with the pressure up to 45.9 GPa. This phenomenon can be explained by a number of discrete clusters that are simultaneously present in the sample, due to the pressure enhanced interactions between charge, orbital and coupling with the lattice distortion coming from the unique 6s sup 2 lone-pair characteristics of Bi sup 3 sup +.

Stress-Induced Cubic-to-Hexagonal Phase Transformation in Perovskite Nanothin Films.

Science.gov (United States)

Cao, Shi-Gu; Li, Yunsong; Wu, Hong-Hui; Wang, Jie; Huang, Baoling; Zhang, Tong-Yi

2017-08-09

The strong coupling between crystal structure and mechanical deformation can stabilize low-symmetry phases from high-symmetry phases or induce novel phase transformation in oxide thin films. Stress-induced structural phase transformation in oxide thin films has drawn more and more attention due to its significant influence on the functionalities of the materials. Here, we discovered experimentally a novel stress-induced cubic-to-hexagonal phase transformation in the perovskite nanothin films of barium titanate (BaTiO 3 ) with a special thermomechanical treatment (TMT), where BaTiO 3 nanothin films under various stresses are annealed at temperature of 575 °C. Both high-resolution transmission electron microscopy and Raman spectroscopy show a higher density of hexagonal phase in the perovskite thin film under higher tensile stress. Both X-ray photoelectron spectroscopy and electron energy loss spectroscopy does not detect any change in the valence state of Ti atoms, thereby excluding the mechanism of oxygen vacancy induced cubic-to-hexagonal (c-to-h) phase transformation. First-principles calculations show that the c-to-h phase transformation can be completed by lattice shear at elevated temperature, which is consistent with the experimental observation. The applied bending plus the residual tensile stress produces shear stress in the nanothin film. The thermal energy at the elevated temperature assists the shear stress to overcome the energy barriers during the c-to-h phase transformation. The stress-induced phase transformation in perovskite nanothin films with TMT provides materials scientists and engineers a novel approach to tailor nano/microstructures and properties of ferroelectric materials.

Crystal structure and optical property of complex perovskite oxynitrides ALi0.2Nb0.8O2.8N0.2, ANa0.2Nb0.8O2.8N0.2, and AMg0.2Nb0.8O2.6N0.4 (A = Sr, Ba)

Science.gov (United States)

Moon, Keon Ho; Avdeev, Maxim; Kim, Young-Il

2017-10-01

Oxynitride type complex perovskites AM0.2Nb0.8O3-xNx (A = Sr, Ba; M = Li, Na, Mg) were newly synthesized by the solid state diffusion of Li+, Na+, or Mg2+ into the layered oxide, A5Nb4O15, with concurrent O/N substitution. Neutron and synchrotron X-ray Rietveld refinement showed that SrLi0.2Nb0.8O2.8N0.2, SrNa0.2Nb0.8O2.8N0.2, and SrMg0.2Nb0.8O2.6N0.4 had body-centered tetragonal symmetry (I4/mcm), while those with A = Ba had simple cubic symmetry (Pm 3 ̅ m). In the tetragonal Sr-compounds, the nitrogen atoms were localized on the c-axial 4a site. However, the octahedral cations, M/Nb (M = Li, Na, Mg) were distributed randomly in all six compounds. The lattice volume of AM0.2Nb0.8O3-xNx was dependent on various factors including the type of A and the electronegativity of M. Compared to the simple perovskites, ANbO2N (A = Sr, Ba), AM0.2Nb0.8O3-xNx had wider band gaps (1.76-2.15 eV for A = Sr and 1.65-2.10 eV for A = Ba), but significantly lower sub-gap absorption.

Diffusion test of probe nuclei {sup 111}In({sup 111}Cd) in the compounds: LaBaMn{sub 2}O{sub 6} 'Double Perovskites' for measurements using PAC spectroscopy; Teste de difusão do núcleo de prova {sup 111}In({sup 111}Cd) nos compostos: LaBaMn{sub 2}0{sub 6} e LaBaCo{sub 2}0{sub 6} 'double perovskites' para a realização de medições utilizando a espectroscopia PAC

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Natália M.; Bosch-Santos, Brianna; Sciarreta, Beatriz A.; Carbonari, Artur W., E-mail: nat_mn1@hotmail.com [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil); Sandalo, Danilo S. [Universidade Estadual Paulista Julio de Mesquita Filho (UNESP), Guaratingueta, SP (Brazil)

2017-07-01

Double perovskites of type LaBaMn{sub 2}O{sub 6} and LaBaCo{sub 2}O{sub 6} were made using two processes, sol-gel synthesis and solid state reaction, in order to identify which of the methods is best for insertion and diffusion of the {sup 111}In test core ({sup 111}Cd) used for perturbed gamma-gamma angular correlation (PAC) spectroscopy measurements. The test core diffusion were performed with thermal treatments in air and at temperatures of 550 ° C, 650 ° C and 750 ° C. By the analysis of the results, the synthesis by Sol-Gel is more efficient for the insertion of the radioactive material, together with the heat treatment at 650 ° C. The advantage of this method is that the radioactive material can be added to the compounds of the synthesis process, even in the solid state reaction method the radioactive material can only be inserted after the ready compound.

Enhanced planar perovskite solar cell efficiency and stability using a perovskite/PCBM heterojunction formed in one step.

Science.gov (United States)

Zhou, Long; Chang, Jingjing; Liu, Ziye; Sun, Xu; Lin, Zhenhua; Chen, Dazheng; Zhang, Chunfu; Zhang, Jincheng; Hao, Yue

2018-02-08

Perovskite/PCBM heterojunctions are efficient for fabricating perovskite solar cells with high performance and long-term stability. In this study, an efficient perovskite/PCBM heterojunction was formed via conventional sequential deposition and one-step formation processes. Compared with conventional deposition, the one-step process was more facile, and produced a perovskite thin film of substantially improved quality due to fullerene passivation. Moreover, the resulting perovskite/PCBM heterojunction exhibited more efficient carrier transfer and extraction, and reduced carrier recombination. The perovskite solar cell device based on one-step perovskite/PCBM heterojunction formation exhibited a higher maximum PCE of 17.8% compared with that from the conventional method (13.7%). The device also showed exceptional stability, retaining 83% of initial PCE after 60 days of storage under ambient conditions.

Strontium-90 sorption from fresh waters in the process of barium manganite modification

International Nuclear Information System (INIS)

Ryzhen'kov, A.P.; Egorov, Yu.V.

1995-01-01

Strontium-90 extraction by barium manganite from fresh water (natural non-salty water in open ponds) may be increased adding to the solution the sulfate anion containing reagents that modify a sorbent and chemically bind a sorbate. Heterogeneous anion-exchanging reaction of barium manganite transformation into barium sulfate-manganese dioxide and simultaneous coprecipitation of strontium sulfate (microelement) occur as a result of it. 9 refs., 4 figs., 1 tab

Tailoring the physical properties of manganite thin films by tuning the epitaxial strain

International Nuclear Information System (INIS)

Zhang, P.X.; Zhang, H.; Cha, L.M.; Habermeier, H.-U.

2003-01-01

Through a proper choice of the mismatch between substrate and films, the physical properties of manganite thin films can be tailored We show that two types of manganite thin films of the Ruddlesden-Popper family, n=∞ and n=2, demonstrate a dramatic variation of their physical properties. It is proved that the property variation can be tuned precisely by controlling the lattice mismatch and/or the film thickness

Compounds of type Ba/sub 2/Bsup(III)Ossup(V)O/sub 6/

Energy Technology Data Exchange (ETDEWEB)

Treiber, U; Kemmler-Sack, S [Tuebingen Univ. (Germany, F.R.). Lehrstuhl fuer Anorganische Chemie 2

1981-07-01

The black perovskites of type Ba/sub 2/Bsup(III)Ossup(V)O/sub 6/ crystallize cubic (Bsup(III) = Pr, Nd, Sm-Lu, Y) and rhombohedral (Bsup(III) = La) respectively; the cell volumina decrease linearily with (rsub(B)sup(III))/sup 3/. Intensity calculations on powder data for Ba/sub 2/YOsO/sub 6/ (space group Fm3m-Osub(h)/sup 5/) and Ba/sub 2/LaOsO/sub 6/ (space group R-3m-Dsub(3d)/sup 5/) gave the intensity related R'values of 4.6% and 5.0% respectively. The results of the vibrational spectroscopic investigations are reported in common with the bond orders, M-O distances and mean amplitudes and compared with the corresponding values of the series Ba/sub 2/Bsup(III)Irsup(V)O/sub 6/ and Ba/sub 2/Bsup(III)Rusup(V)O/sub 6/.

Synthesis and characterization of multilayered BaTiO3/NiFe2O4 thin films

Directory of Open Access Journals (Sweden)

Branimir Bajac

2013-03-01

Full Text Available Presented research was focused on the fabrication of multiferroic thin film structures, composed of ferrielectric barium titanate perovskite phase and magnetostrictive nickel ferrite spinel phase. The applicability of different, solution based, deposition techniques (film growth from solution, dip coating and spin coating for thefabrication of multilayered BaTiO3 /NiFe2O4 thin films was investigated. It was shown that only spin coating produces films of desired nanostructure, thickness and smooth and crackfree surfaces.

Comparative DFT+U and HSE Study of the Oxygen Evolution Electrocatalysis on Perovskite Oxides

DEFF Research Database (Denmark)

Tripkovic, Vladimir; Hansen, Heine Anton; García Lastra, Juan Maria

2018-01-01

+U functional and the amount of exact exchange, α, in the hybrid HSE functional on the structural stability, catalytic activity and electronic conductivity of pure and doped perovskite oxides, ABO3, (A = La, Ca, Sr and Ba, B = Cr, Mn, Fe, Co, Ni and Cu) for oxygen evolution electrocatalysis. We find a strong...

Theory and Application of Photoelectron Diffraction for Complex Oxide Systems

Science.gov (United States)

Chassé, Angelika; Chassé, Thomas

2018-06-01

X-ray photoelectron diffraction (XPD) has been used to investigate film structures and local sites of surface and dopant atoms in complex oxide materials. We have performed angular-resolved measurements of intensity distribution curves (ADCs) and patterns (ADPs) of elemental core level intensities from binary to quaternary mixed oxide samples and compared them to multiple-scattering cluster (MSC) calculations in order to derive information on structural models and related parameters. MSC calculations permitted to describe both bulk diffraction features of binary oxide MnO(001) and the thickness-dependence of the tetragonal distortion of epitaxial MnO films on Ag(001). XPD was further used to investigate the surface termination of perovskite SrTiO3 and BaTiO3 substrates in order to evaluate influence of different ex situ and in situ preparation procedures on the surface layers, which are crucial for quality of following film growth. Despite the similarity of local environments of Sr (Ba) and Ti atoms in the perovskite film structure an angular region in the ADCs was identified as a fingerprint with the help of MSC simulations which provided clear conclusions on the perovskite oxide surfaces. Dopant sites in quaternary perovskite manganites La1-xCaxMnO3, La1-xSrxMnO3, and La1-xCexMnO3 were studied with polar angle scans of the photoemission intensities of host and dopant atoms. Both direct comparison of experimental ADCs and to the simulations within MSC models confirm the occupation of A sites by the dopants and the structural quality of the complex oxide films.

Ambipolar solution-processed hybrid perovskite phototransistors

KAUST Repository

Li, Feng

2015-09-08

Organolead halide perovskites have attracted substantial attention because of their excellent physical properties, which enable them to serve as the active material in emerging hybrid solid-state solar cells. Here we investigate the phototransistors based on hybrid perovskite films and provide direct evidence for their superior carrier transport property with ambipolar characteristics. The field-effect mobilities for triiodide perovskites at room temperature are measured as 0.18 (0.17) cm2 V−1 s−1 for holes (electrons), which increase to 1.24 (1.01) cm2 V−1 s−1 for mixed-halide perovskites. The photoresponsivity of our hybrid perovskite devices reaches 320 A W−1, which is among the largest values reported for phototransistors. Importantly, the phototransistors exhibit an ultrafast photoresponse speed of less than 10 μs. The solution-based process and excellent device performance strongly underscore hybrid perovskites as promising material candidates for photoelectronic applications.

Thermophysical properties of proton conducting perovskite: BaCeO{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Shukla, Aarti, E-mail: aarti.phy@gmail.com; Parey, Vanshree; Thakur, Rasna; Shrivastava, Archana; Gaur, N. K. [Department of Physics, Barkatullah University, Bhopal-462026 (India)

2015-06-24

We present the thermal properties of the proton conducting orthorhombic BaCeO{sub 3} by the means of a Rigid Ion Model (RIM). We report the cohesive energy (φ), Reststrahlen frequency (υ), Debye temperature (θ{sub D}) and Gruneisen parameter (γ). The value of Gruneisen parameter (γ), which supports the earlier, reported values. Besides, the specific heat values presented in this work by using RIM are in reasonable agreement with the available experimental data for BaCeO{sub 3} at low temperature (2K ≤ T ≤ 300K)

Giant superconductivity-induced modulation of the ferromagnetic magnetization in a cuprate-manganite superlattice.

Science.gov (United States)

Hoppler, J; Stahn, J; Niedermayer, Ch; Malik, V K; Bouyanfif, H; Drew, A J; Rössle, M; Buzdin, A; Cristiani, G; Habermeier, H-U; Keimer, B; Bernhard, C

2009-04-01

Artificial multilayers offer unique opportunities for combining materials with antagonistic orders such as superconductivity and ferromagnetism and thus to realize novel quantum states. In particular, oxide multilayers enable the utilization of the high superconducting transition temperature of the cuprates and the versatile magnetic properties of the colossal-magnetoresistance manganites. However, apart from exploratory work, the in-depth investigation of their unusual properties has only just begun. Here we present neutron reflectometry measurements of a [Y(0.6)Pr(0.4)Ba(2)Cu(3)O(7) (10 nm)/La(2/3)Ca(1/3)MnO(3) (10 nm)](10) superlattice, which reveal a surprisingly large superconductivity-induced modulation of the vertical ferromagnetic magnetization profile. Most surprisingly, this modulation seems to involve the density rather than the orientation of the magnetization and is highly susceptible to the strain, which is transmitted from the SrTiO(3) substrate. We outline a possible explanation of this unusual superconductivity-induced phenomenon in terms of a phase separation between ferromagnetic and non-ferromagnetic nanodomains in the La(2/3)Ca(1/3)MnO(3) layers.

Halide-Dependent Electronic Structure of Organolead Perovskite Materials

KAUST Repository

Buin, Andrei; Comin, Riccardo; Xu, Jixian; Ip, Alexander H.; Sargent, Edward H.

2015-01-01

-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability

Phase competition by design in R0.5Ba0.5MnO3

Science.gov (United States)

Nowadnick, Elizabeth; He, Jiangang; Fennie, Craig

Phase competition between distinct ground states can arise from interactions on similar energy scales between the spin, charge, lattice, and orbital degrees of freedom. This competition can result in large responses to external perturbations. For example, the colossal magnetoresistance effect in the rare-earth manganites R1-xAxMnO3 arises out of competing ferromagnetic metallic and charge/orbital-ordered antiferromagnetic insulating states. Phase competition between polar and magnetic ground states is a promising strategy to realize polarization (magnetization) control with a magnetic (electric) field, which is major goal in multiferroics research. In this regard, the half-doped A-site ordered manganite Sm0.5Ba0.5MnO3 is of particular interest, because the charge/orbital-ordered antiferromagnetic insulating state in this material is polar. We use a combination of group theoretic methods and first-principles calculations to elucidate the origin of this polar state, and show that epitaxial strain can tune the material to a regime where there is a strong competition between the polar insulating state and the ferromagnetic metallic state. We then explore how to achieve electric and magnetic field control of the order parameters in this system.

Efficient Lead-Free Solar Cells Based on Hollow {en}MASnI3 Perovskites.

Science.gov (United States)

Ke, Weijun; Stoumpos, Constantinos C; Spanopoulos, Ioannis; Mao, Lingling; Chen, Michelle; Wasielewski, Michael R; Kanatzidis, Mercouri G

2017-10-18

Tin-based perovskites have very comparable electronic properties to lead-based perovskites and are regarded as possible lower toxicity alternates for solar cell applications. However, the efficiency of tin-based perovskite solar cells is still low and they exhibit poor air stability. Here, we report lead-free tin-based solar cells with greatly enhanced performance and stability using so-called "hollow" ethylenediammonium and methylammonium tin iodide ({en}MASnI 3 ) perovskite as absorbers. Our results show that en can improve the film morphology and most importantly can serve as a new cation to be incorporated into the 3D MASnI 3 lattice. When the cation of en becomes part of the 3D structure, a high density of SnI 2 vacancies is created resulting in larger band gap, larger unit cell volume, lower trap-state density, and much longer carrier lifetime compared to classical MASnI 3 . The best-performing {en}MASnI 3 solar cell has achieved a high efficiency of 6.63% with an open circuit voltage of 428.67 mV, a short-circuit current density of 24.28 mA cm -2 , and a fill factor of 63.72%. Moreover, the {en}MASnI 3 device shows much better air stability than the neat MASnI 3 device. Comparable performance is also achieved for cesium tin iodide solar cells with en loading, demonstrating the broad scope of this approach.

Halide-Dependent Electronic Structure of Organolead Perovskite Materials

KAUST Repository

Buin, Andrei

2015-06-23

© 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention both at the experimental and theoretical levels. These materials, in particular methylammonium triiodide, are still limited by poor chemical and structural stability under ambient conditions. Today this represents one of the major challenges for polycrystalline perovskite-based photovoltaic technology. In addition to this, the performance of perovskite-based devices is degraded by deep localized states, or traps. To achieve better-performing devices, it is necessary to understand the nature of these states and the mechanisms that lead to their formation. Here we show that the major sources of deep traps in the different halide systems have different origin and character. Halide vacancies are shallow donors in I-based perovskites, whereas they evolve into a major source of traps in Cl-based perovskites. Lead interstitials, which can form lead dimers, are the dominant source of defects in Br-based perovskites, in line with recent experimental data. As a result, the optimal growth conditions are also different for the distinct halide perovskites: growth should be halide-rich for Br and Cl, and halide-poor for I-based perovskites. We discuss stability in relation to the reaction enthalpies of mixtures of bulk precursors with respect to final perovskite product. Methylammonium lead triiodide is characterized by the lowest reaction enthalpy, explaining its low stability. At the opposite end, the highest stability was found for the methylammonium lead trichloride, also consistent with our experimental findings which show no observable structural variations over an extended period of time.

Wavelength-tunable waveguides based on polycrystalline organic-inorganic perovskite microwires

Science.gov (United States)

Wang, Ziyu; Liu, Jingying; Xu, Zai-Quan; Xue, Yunzhou; Jiang, Liangcong; Song, Jingchao; Huang, Fuzhi; Wang, Yusheng; Zhong, Yu Lin; Zhang, Yupeng; Cheng, Yi-Bing; Bao, Qiaoliang

2016-03-01

Hybrid organic-inorganic perovskites have emerged as new photovoltaic materials with impressively high power conversion efficiency due to their high optical absorption coefficient and long charge carrier diffusion length. In addition to high photoluminescence quantum efficiency and chemical tunability, hybrid organic-inorganic perovskites also show intriguing potential for diverse photonic applications. In this work, we demonstrate that polycrystalline organic-inorganic perovskite microwires can function as active optical waveguides with small propagation loss. The successful production of high quality perovskite microwires with different halogen elements enables the guiding of light with different colours. Furthermore, it is interesting to find that out-coupled light intensity from the microwire can be effectively modulated by an external electric field, which behaves as an electro-optical modulator. This finding suggests the promising applications of perovskite microwires as effective building blocks in micro/nano scale photonic circuits.

Cubic Re6+ (5d1) Double Perovskites, Ba2MgReO6, Ba2ZnReO6, and Ba2Y2/3ReO6: Magnetism, Heat Capacity, μSR, and Neutron Scattering Studies and Comparison with Theory.

Science.gov (United States)

Marjerrison, Casey A; Thompson, Corey M; Sala, Gabrielle; Maharaj, Dalini D; Kermarrec, Edwin; Cai, Yipeng; Hallas, Alannah M; Wilson, Murray N; Munsie, Timothy J S; Granroth, Garrett E; Flacau, Roxana; Greedan, John E; Gaulin, Bruce D; Luke, Graeme M

2016-10-04

Double perovskites (DP) of the general formula Ba 2 MReO 6 , where M = Mg, Zn, and Y 2/3 , all based on Re 6+ (5d 1 , t 2g 1 ), were synthesized and studied using magnetization, heat capacity, muon spin relaxation, and neutron-scattering techniques. All are cubic, Fm3̅m, at ambient temperature to within the resolution of the X-ray and neutron diffraction data, although the muon data suggest the possibility of a local distortion for M = Mg. The M = Mg DP is a ferromagnet, T c = 18 K, with a saturation moment ∼0.3 bohr magnetons at 3 K. There are two anomalies in the heat capacity: a sharp feature at 18 K and a broad maximum centered near 33 K. The total entropy loss below 45 K is 9.68 e.u., which approaches R ln 4 (11.52 e.u.) supporting a j = 3/2 ground state. The unit cell constants of Ba 2 MgReO 6 and the isostructural, isoelectronic analogue, Ba 2 LiOsO 6 , differ by only 0.1%, yet the latter is an anti-ferromagnet. The M = Zn DP also appears to be a ferromagnet, T c = 11 K, μ sat (Re) = 0.1 μ B . In this case the heat capacity shows a somewhat broad peak near 10 K and a broader maximum at ∼33 K, behavior that can be traced to a smaller particle size, ∼30 nm, for this sample. For both M = Mg and Zn, the low-temperature magnetic heat capacity follows a T 3/2 behavior, consistent with a ferromagnetic spin wave. An attempt to attribute the broad 33 K heat capacity anomalies to a splitting of the j = 3/2 state by a crystal distortion is not supported by inelastic neutron scattering, which shows no transition at the expected energy of ∼7 meV nor any transition up to 100 meV. However, the results for the two ferromagnets are compared to the theory of Chen, Pereira, and Balents, and the computed heat capacity predicts the two maxima observed experimentally. The M = Y 2/3 DP, with a significantly larger cell constant (3%) than the ferromagnets, shows predominantly anti-ferromagnetic correlations, and the ground state is complex with a spin frozen component T

SmBaCoCuO5+x as cathode material based on GDC electrolyte for intermediate-temperature solid oxide fuel cells

International Nuclear Information System (INIS)

Lue Shiquan; Long, Guohui; Ji Yuan; Meng Xiangwei; Zhao Hongyuan; Sun Cuicui

2011-01-01

Research highlights: → We synthesize a new kind of layered perovskite SmBaCoCuO 5+x (SBCCO) as a cathode material of a solid oxide fuel cell. → There are some reports on the performance of cathodes in proton-conducting SOFCs based on BaCe 0.8 Sm 0.2 O 3-δ electrolyte. → However, to the best of our knowledge, the performance of SBCCO cathodes in oxygen-ion conducting SOFCs has not been reported to date. → In this work, the ceramic powder SBCCO is examined as a cathode for IT-SOFCs based on Ce 0.9 Gd 0.1 O 1.95 (GDC) electrolyte. - Abstract: The performance of SmBaCoCuO 5+x (SBCCO) cathode has been investigated for their potential utilization in intermediate-temperature solid oxide fuel cells (IT-SOFCs). The powder X-ray diffraction (XRD), thermal expansion and electrochemical performance on Ce 0.9 Gd 0.1 O 1.95 (GDC) electrolyte are evaluated. XRD results show that there is no chemical reaction between SBCCO cathode and GDC electrolyte when the temperature is below 950 o C. The thermal expansion coefficient (TEC) value of SBCCO is 15.53 x 10 -6 K -1 , which is ∼23% lower than the TEC of the SmBaCo 2 O 5+x (SBCO) sample. The electrochemical impedance spectra reveals that SBCCO symmetrical half-cells by sintering at 950 deg. C has the best electrochemical performance and the area specific resistance (ASR) of SBCCO cathode is as low as 0.086 Ω cm 2 at 800 o C. An electrolyte-supported fuel cell generates good performance with the maximum power density of 517 mW cm -2 at 800 deg. C in H 2 . Preliminary results indicate that SBCCO is promising as a cathode for IT-SOFCs.

Elucidating the Key Role of a Lewis Base Solvent in the Formation of Perovskite Films Fabricated from the Lewis Adduct Approach.

Science.gov (United States)

Cao, Xiaobing; Zhi, Lili; Li, Yahui; Fang, Fei; Cui, Xian; Yao, Youwei; Ci, Lijie; Ding, Kongxian; Wei, Jinquan

2017-09-27

High-quality perovskite films can be fabricated from Lewis acid-base adducts through molecule exchange. Substantial work is needed to fully understand the formation mechanism of the perovskite films, which helps to further improve their quality. Here, we study the formation of CH 3 NH 3 PbI 3 perovskite films by introducing some dimethylacetamide into the PbI 2 /N,N-dimethylformamide solution. We reveal that there are three key processes during the formation of perovskite films through the Lewis acid-base adduct approach: molecule intercalation of solvent into the PbI 2 lattice, molecule exchange between the solvent and CH 3 NH 3 I, and dissolution-recrystallization of the perovskite grains during annealing. The Lewis base solvents play multiple functions in the above processes. The properties of the solvent, including Lewis basicity and boiling point, play key roles in forming smooth perovskite films with large grains. We also provide some rules for choosing Lewis base additives to prepare high-quality perovskite films through the Lewis adduct approach.

Stability Issues on Perovskite Solar Cells

Directory of Open Access Journals (Sweden)

Xing Zhao

2015-11-01

Full Text Available Organo lead halide perovskite materials like methylammonium lead iodide (CH3NH3PbI3 and formamidinium lead iodide (HC(NH22PbI3 show superb opto-electronic properties. Based on these perovskite light absorbers, power conversion efficiencies of the perovskite solar cells employing hole transporting layers have increased from 9.7% to 20.1% within just three years. Thus, it is apparent that perovskite solar cell is a promising next generation photovoltaic technology. However, the unstable nature of perovskite was observed when exposing it to continuous illumination, moisture and high temperature, impeding the commercial development in the long run and thus becoming the main issue that needs to be solved urgently. Here, we discuss the factors affecting instability of perovskite and give some perspectives about further enhancement of stability of perovskite solar cell.

Silica-coated manganite and Mn-based ferrite nanoparticles: a comparative study focused on cytotoxicity

Czech Academy of Sciences Publication Activity Database

Kaman, Ondřej; Dědourková, T.; Koktan, Jakub; Kuličková, Jarmila; Maryško, Miroslav; Veverka, Pavel; Havelek, R.; Královec, K.; Turnovcová, Karolína; Jendelová, Pavla; Schröfel, A.; Svoboda, L.

2016-01-01

Roč. 18, č. 4 (2016), 1-18, č. článku 100. ISSN 1388-0764 R&D Projects: GA ČR GA15-10088S Institutional support: RVO:68378271 ; RVO:68378041 Keywords : magnetic nanoparticles * manganite * ferrite * in vitro toxicity * stem cells Subject RIV: BM - Solid Matter Physics ; Magnetism; EB - Genetics ; Molecular Biology (UEM-P) OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.); Acoustics (UEM-P) Impact factor: 2.020, year: 2016

Manganite/Cuprate Superlattice as Artificial Reentrant Spin Glass

KAUST Repository

Ding, Junfeng; Cossu, Fabrizio; Lebedev, Oleg I.; Zhang, Yuqin; Zhang, Zhidong; Schwingenschlö gl, Udo; Wu, Tao

2016-01-01

magnetic memory effect discovered in oxide heterostructures composed of ultrathin manganite La0.7Sr0.3MnO3 (LSMO) and cuprate La2CuO4 (LCO) layers. These heterostructures are featured with enhanced ferromagnetism before entering the spin glass state: a

Relation between structural evolution and effective Ir moments upon applied pressure during synthesis in Ba{sub 3}YIr{sub 2}O{sub 9}

Energy Technology Data Exchange (ETDEWEB)

Stummer, Hannes; Dey, Tusharkanti; Wurmehl, Sabine; Buechner, Bernd [Leibniz Institute for Solid State and Materials Research, Dresden (Germany)

2015-07-01

The intensively investigated material class of Iridium oxide based materials provides a variety of new and unknown combinations of magnetic properties with interesting novel or exotic ground states. These Iridate compounds often appear in a perovskite type structure or a related derivative which are very favorable for crystal structure modifications under high pressure. High pressure synthesis therefore can be used to tune or change the magnetic properties appearing under normal pressure. The Iridate Ba{sub 3}YIr{sub 2}O{sub 9} crystallizes under ambient pressure synthesis in a hexagonal structure and exhibits magnetic ordering below 4 K. A synthesis pressure of 8 GPa advances the material to form a cubic double perovskite structure which is (meta-)stable at ambient pressure. For this high pressure configuration the magnetic ordering is suppressed. We will present our recent results about the systematic high pressure synthesis and characterization of Ba{sub 3}YIr{sub 2}O{sub 9} samples grown under different growth pressure. The main focus will be on the correlation between structural and magnetic properties depending on the applied pressure during the synthesis process.

Epitaxial thin-film growth of Ruddlesden-Popper-type Ba{sub 3}Zr{sub 2}O{sub 7} from a BaZrO{sub 3} target by pulsed laser deposition

Energy Technology Data Exchange (ETDEWEB)

Butt, Shariqa Hassan; Rafique, M.S.; Siraj, K.; Latif, A.; Afzal, Amina [University of Engineering and Technology, Laser and Optronics Centre, Department of Physics, Lahore (Pakistan); Awan, M.S. [Ibn-e-Sina Institute of Science and Technology (ISIT), Islamabad (Pakistan); Bashir, Shazia [Government College University, Centre for Advanced Studies in Physics, Lahore (Pakistan); Iqbal, Nida [Universiti Teknologi Malaysia, Medical Devices and Technology Group (MEDITEG), Faculty of Biosciences and Medical Engineering, Johor Bahru, Johor (Malaysia)

2016-07-15

Ruddlesden-Popper Ba{sub 3}Zr{sub 2}O{sub 7} thin films have been synthesized via pulsed laser deposition (PLD) technique. The optimization of deposition parameters in PLD enables the formation of thin film of metastable Ba{sub 3}Zr{sub 2}O{sub 7} phase from BaZrO{sub 3} target. In order to see the post-annealing effects on the structural and optical properties, the deposited Ba{sub 3}Zr{sub 2}O{sub 7} thin films were annealed at 500, 600 and 800 C. X-ray diffraction (XRD) reveals the formation of Ba{sub 3}Zr{sub 2}O{sub 7} phase with tetragonal structure. The changes in the surface of the deposited films were analysed by FE-SEM and AFM. The thin film post-annealed at 500 C exhibited the best structural, optical and surface properties. Furthermore, the chemical states and chemical composition of the films were determined by X-ray photoelectron spectroscopy (XPS) near the surface. The XPS results show that Ba, Zr and O exist mainly in the form of Ba{sub 3}Zr{sub 2}O{sub 7} Ruddlesden-Popper-type perovskite structure. (orig.)

Superconductivity, structure and oxygen deficiency in the Ba2YCu2WOY system

International Nuclear Information System (INIS)

Bokhimi, M.; Portilla, M.; Perez, R.; Universidad Nacional Autonoma de Mexico, Mexico City

1991-01-01

It is shown that the Ba-2YCu x WO y system with O≤x≤2 is composed of 2 phases, the first with composition Ba 2 YWO 6 with a small copper-solution replacing yttrium, it has cubic ordered perovskite structure with the space group Fm3m, the solution of the copper gives rise to a lattice contraction. The second phase corresponds to CuO, or Cu 2 O depending on sample preparation At large copper concentrations the first phase appears as small precipitates embedded in the second one. Reducing the samples at 1150 o C in H 2 gives rise to a separation of the phases, segregating the copper in the form of liquid metal. The reduction eliminates from the first phase the dissolved copper, and produces also some oxygen deficiency in the sample, both effects give origin to a lattice distortion in the ordered perovskite structure. Although the samples are black after the reduction, they are not electrical conductors. (author). 8 refs., 8 figs

Fabrication of Semiconducting Methylammonium Lead Halide Perovskite Particles by Spray Technology

Science.gov (United States)

Ahmadian-Yazdi, Mohammad-Reza; Eslamian, Morteza

2018-01-01

In this "nano idea" paper, three concepts for the preparation of methylammonium lead halide perovskite particles are proposed, discussed, and tested. The first idea is based on the wet chemistry preparation of the perovskite particles, through the addition of the perovskite precursor solution to an anti-solvent to facilitate the precipitation of the perovskite particles in the solution. The second idea is based on the milling of a blend of the perovskite precursors in the dry form, in order to allow for the conversion of the precursors to the perovskite particles. The third idea is based on the atomization of the perovskite solution by a spray nozzle, introducing the spray droplets into a hot wall reactor, so as to prepare perovskite particles, using the droplet-to-particle spray approach (spray pyrolysis). Preliminary results show that the spray technology is the most successful method for the preparation of impurity-free perovskite particles and perovskite paste to deposit perovskite thin films. As a proof of concept, a perovskite solar cell with the paste prepared by the sprayed perovskite powder was successfully fabricated.

Fabrication of Semiconducting Methylammonium Lead Halide Perovskite Particles by Spray Technology.

Science.gov (United States)

Ahmadian-Yazdi, Mohammad-Reza; Eslamian, Morteza

2018-01-10

In this "nano idea" paper, three concepts for the preparation of methylammonium lead halide perovskite particles are proposed, discussed, and tested. The first idea is based on the wet chemistry preparation of the perovskite particles, through the addition of the perovskite precursor solution to an anti-solvent to facilitate the precipitation of the perovskite particles in the solution. The second idea is based on the milling of a blend of the perovskite precursors in the dry form, in order to allow for the conversion of the precursors to the perovskite particles. The third idea is based on the atomization of the perovskite solution by a spray nozzle, introducing the spray droplets into a hot wall reactor, so as to prepare perovskite particles, using the droplet-to-particle spray approach (spray pyrolysis). Preliminary results show that the spray technology is the most successful method for the preparation of impurity-free perovskite particles and perovskite paste to deposit perovskite thin films. As a proof of concept, a perovskite solar cell with the paste prepared by the sprayed perovskite powder was successfully fabricated.

A review on one dimensional perovskite nanocrystals for piezoelectric applications

Directory of Open Access Journals (Sweden)

Li-Qian Cheng

2016-03-01

Full Text Available In recent years, one-dimensional piezoelectric nanomaterials have become a research topic of interest because of their special morphology and excellent piezoelectric properties. This article presents a short review on one dimensional perovskite piezoelectric materials in different systems including Pb(Zr,TiO3, BaTiO3 and (K,NaNbO3 (KNN. We emphasize KNN as a promising lead-free piezoelectric compound with a high Curie temperature and high piezoelectric properties and describe its synthesis and characterization. In particular, details are presented for nanoscale piezoelectricity characterization of a single KNN nanocrystal by piezoresponse force microscopy. Finally, this review describes recent progress in applications based on one dimensional piezoelectric nanostructures with a focus on energy harvesting composite materials.

Template-based electrophoretic deposition of perovskite PZT nanotubes

Energy Technology Data Exchange (ETDEWEB)

Nourmohammadi, A. [Solid Surfaces Analysis and Electron Microscopy Group, Institute of Physics, Chemnitz University of Technology, D-09126 Chemnitz (Germany); Semiconductors Department, Materials and Energy Research Center (MERC), 31779-83634 Karaj (Iran, Islamic Republic of); Bahrevar, M.A. [Semiconductors Department, Materials and Energy Research Center (MERC), 31779-83634 Karaj (Iran, Islamic Republic of)], E-mail: ma.bahrevar@yahoo.com; Hietschold, M. [Solid Surfaces Analysis and Electron Microscopy Group, Institute of Physics, Chemnitz University of Technology, D-09126 Chemnitz (Germany)

2009-04-03

Template-based electrophoretic deposition of perovskite lead zirconate titanate (PZT) nanotubes was achieved using anodic alumina (AA) membranes and sols, containing lead, zirconium and titanium precursors. The effect of various anodizing voltages on the size of the channels in the anodic alumina template was investigated. The prepared sol was driven into the channels under the influence of various electric fields and subsequently sintered at about 700 deg. C. The effects of the initial heating rates and the burn-out temperature on the phase evolution of the samples were studied and a modified firing process was employed. The effects of the electrophoretic voltage and the deposition time on the average wall thickness of the tubes were investigated. Scanning and transmission electron microscopy (SEM and TEM) revealed the efficiency of electrophoresis in the growth of lead zirconate titanate nanotubes in a close-packed array. The X-ray diffraction analyses indicated the presence of perovskite as the principal phase after a modified firing schedule.

Effect of high pressure on the ground state of low doped manganite: a neutron diffraction and transport property study

International Nuclear Information System (INIS)

Ghosh, Barnali; Raychaudhuri, A.K.; Siruguri, V.; Chatterji, Tapan; Thomas, Hansen; Mukovskii, Ya.M.

2013-01-01

Depending on the doping level x the hole-doped perovskite manganites, like La 1-x Ca x MnO 3 exhibit a wide variety of physical properties. These compounds lead their high sensitivity to thermodynamic variables like temperature, magnetic field and pressure. The structure can be modified by application of high pressure and it can be quantitative that changes the Mn-O bond length and increases the Mn-O-Mn bond angle. In some cases the pressure can bring about qualitative changes in the structure like change in the lattice structure or its symmetry. These structural factors can contribute to the effective electron transfer integral between Mn ions, which in turn can change the magnetic exchanges like the double-exchange as well as the super exchange. For low hole doping (0.15 ≤ x ≤ 0.2), the low temperature ground state is Ferromagnetic insulator (FMI). The ground state of the low doped manganite La 0.79 Ca 0.21 MnO 3 (LCMO) can be destabilized by external hydrostatic pressure. We have done electrical transport measurement under magnetic field and under high pressure for understanding the nature of the resulting phase(s) that arise from the applied hydrostatic pressure. We find that the metallic phase so created under pressure has no appreciable magnetoresistance (MR). The Neutron powder diffraction measurement done on D20 diffractometer (λ=1.3Å) at ILL, Grenoble, France under high hydrostatic pressure up to 10GPa shows that the pressure leads to a change in the crystal structure from orthorhombic to rhombohedral and leading to a change in magnetic structure also; and most importantly collapse of the magnetic moment to a low value that leads to absence of any MR under pressure induced metallization. (author)

CaTiO.sub.3 Interfacial template structure on semiconductor-based material and the growth of electroceramic thin-films in the perovskite class

Science.gov (United States)

McKee, Rodney Allen; Walker, Frederick Joseph

1998-01-01

A structure including a film of a desired perovskite oxide which overlies and is fully commensurate with the material surface of a semiconductor-based substrate and an associated process for constructing the structure involves the build up of an interfacial template film of perovskite between the material surface and the desired perovskite film. The lattice parameters of the material surface and the perovskite of the template film are taken into account so that during the growth of the perovskite template film upon the material surface, the orientation of the perovskite of the template is rotated 45.degree. with respect to the orientation of the underlying material surface and thereby effects a transition in the lattice structure from fcc (of the semiconductor-based material) to the simple cubic lattice structure of perovskite while the fully commensurate periodicity between the perovskite template film and the underlying material surface is maintained. The film-growth techniques of the invention can be used to fabricate solid state electrical components wherein a perovskite film is built up upon a semiconductor-based material and the perovskite film is adapted to exhibit ferroelectric, piezoelectric, pyroelectric, electro-optic or large dielectric properties during use of the component.

Experimental and theoretical studies of manganite and magnetite compounds

International Nuclear Information System (INIS)

Srinitiwarawong, Chatchai

2002-01-01

In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)

Phase relationships in the BaO-Ga2O3-Ta2O5 system and the structure of Ba6Ga21TaO40.

Science.gov (United States)

Cao, Jiang; Yu, Xiaodi; Kuang, Xiaojun; Su, Qiang

2012-07-16

Phase relationships in the BaO-Ga(2)O(3)-Ta(2)O(5) ternary system at 1200 °C were determined. The A(6)B(10)O(30) tetragonal tungsten bronze (TTB) related solution in the BaO-Ta(2)O(5) subsystem dissolved up to ~11 mol % Ga(2)O(3), forming a ternary trapezoid-shaped TTB-related solid solution region defined by the BaTa(2)O(6), Ba(1.1)Ta(5)O(13.6), Ba(1.58)Ga(0.92)Ta(4.08)O(13.16), and Ba(6)GaTa(9)O(30) compositions in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Two ternary phases Ba(6)Ga(21)TaO(40) and eight-layer twinned hexagonal perovskite solid solution Ba(8)Ga(4-x)Ta(4+0.6x)O(24) were confirmed in the BaO-Ga(2)O(3)-Ta(2)O(5) system. Ba(6)Ga(21)TaO(40) crystallized in a monoclinic cell of a = 15.9130(2) Å, b = 11.7309(1) Å, c = 5.13593(6) Å, β = 107.7893(9)°, and Z = 1 in space group C2/m. The structure of Ba(6)Ga(21)TaO(40) was solved by the charge flipping method, and it represents a three-dimensional (3D) mixed GaO(4) tetrahedral and GaO(6)/TaO(6) octahedral framework, forming mixed 1D 5/6-fold tunnels that accommodate the Ba cations along the c axis. The electrical property of Ba(6)Ga(21)TaO(40) was characterized by using ac impedance spectroscopy.

Highly efficient perovskite solar cells based on a nanostructured WO3-TiO2 core-shell electron transporting material

KAUST Repository

Mahmood, Khalid; Swain, Bhabani Sankar; Kirmani, Ahmad R.; Amassian, Aram

2015-01-01

Until recently, only mesoporous TiO2 and ZnO were successfully demonstrated as electron transport layers (ETL) alongside the reports of ZrO2 and Al2O3 as scaffold materials in organometal halide perovskite solar cells, largely owing to ease of processing and to high power conversion efficiency. In this article, we explore tungsten trioxide (WO3)-based nanostructured and porous ETL materials directly grown hydrothermally with different morphologies such as nanoparticles, nanorods and nanosheet arrays. The nanostructure morphology strongly influences the photocurrent and efficiency in organometal halide perovskite solar cells. We find that the perovskite solar cells based on WO3 nanosheet arrays yield significantly enhanced photovoltaic performance as compared to nanoparticles and nanorod arrays due to good perovskite absorber infiltration in the porous scaffold and more rapid carrier transport. We further demonstrate that treating the WO3 nanostructures with an aqueous solution of TiCl4 reduces charge recombination at the perovskite/WO3 interface, resulting in the highest power conversion efficiency of 11.24% for devices based on WO3 nanosheet arrays. The successful demonstration of alternative ETL materials and nanostructures based on WO3 will open up new opportunities in the development of highly efficient perovskite solar cells. This journal is © The Royal Society of Chemistry 2015.

2D halide perovskite-based van der Waals heterostructures: contact evaluation and performance modulation

Science.gov (United States)

Guo, Yaguang; Saidi, Wissam A.; Wang, Qian

2017-09-01

Halide perovskites and van der Waals (vdW) heterostructures are both of current interest owing to their novel properties and potential applications in nano-devices. Here, we show the great potential of 2D halide perovskite sheets (C4H9NH3)2PbX4 (X  =  Cl, Br and I) that were synthesized recently (Dou et al 2015 Science 349 1518-21) as the channel materials contacting with graphene and other 2D metallic sheets to form van der Waals heterostructures for field effect transistor (FET). Based on state-of-the-art theoretical simulations, we show that the intrinsic properties of the 2D halide perovskites are preserved in the heterojunction, which is different from the conventional contact with metal surfaces. The 2D halide perovskites form a p-type Schottky barrier (Φh) contact with graphene, where tunneling barrier exists, and a negative band bending occurs at the lateral interface. We demonstrate that the Schottky barrier can be turned from p-type to n-type by doping graphene with nitrogen atoms, and a low-Φh or an Ohmic contact can be realized by doping graphene with boron atoms or replacing graphene with other high-work-function 2D metallic sheets such as ZT-MoS2, ZT-MoSe2 and H-NbS2. This study not only predicts a 2D halide perovskite-based FETs, but also enhances the understanding of tuning Schottky barrier height in device applications.

Perovskites in the comb roof base of hornets: their possible function.

Science.gov (United States)

Ishay, J S; Joseph, Z; Galushko, D; Ermakov, N; Bergman, D J; Barkay, Z; Stokroos, I; van der Want, J

2005-04-01

On the ceiling of the Oriental hornet comb cell, there are mineral granules of polycrystalline material known to belong to the group of perovskites. In a comb cell intended to house a worker hornet, the roof base usually carries one or several such perovskite granules containing titanium (Ti), whereas in the roof base of a cell housing a developing queen, there are usually several granules containing a high percentage of silicon (Si), aluminum (Al), calcium (Ca), and iron (Fe), but very little if any Ti. In worker comb cells, Ti usually appears as ilmenite (FeTiO3). Besides documenting the above-mentioned facts, this report discusses possible reasons for the appearance of ilmenite crystals in worker cells only and not in queen cells. (c) 2005 Wiley-Liss, Inc.

Non-collinear magnetism in multiferroic perovskites.

Science.gov (United States)

Bousquet, Eric; Cano, Andrés

2016-03-31

We present an overview of the current interest in non-collinear magnetism in multiferroic perovskite crystals. We first describe the different microscopic mechanisms giving rise to the non-collinearity of spins in this class of materials. We discuss, in particular, the interplay between non-collinear magnetism and ferroelectric and antiferrodistortive distortions of the perovskite structure, and how this can promote magnetoelectric responses. We then provide a literature survey on non-collinear multiferroic perovskites. We discuss numerous examples of spin cantings driving weak ferromagnetism in transition metal perovskites, and of spin-induced ferroelectricity as observed in the rare-earth based perovskites. These examples are chosen to best illustrate the fundamental role of non-collinear magnetism in the design of multiferroicity.

High-Performance Red-Light Photodetector Based on Lead-Free Bismuth Halide Perovskite Film.

Science.gov (United States)

Tong, Xiao-Wei; Kong, Wei-Yu; Wang, You-Yi; Zhu, Jin-Miao; Luo, Lin-Bao; Wang, Zheng-Hua

2017-06-07

In this study, we developed a sensitive red-light photodetector (RLPD) based on CsBi 3 I 10 perovskite thin film. This inorganic, lead-free perovskite was fabricated by a simple spin-coating method. Device analysis reveals that the as-assembled RLPD was very sensitive to 650 nm light, with an on/off ratio as high as 10 5 . The responsivity and specific detectivity of the device were estimated to be 21.8 A/W and 1.93 × 10 13 Jones, respectively, which are much better than those of other lead halide perovskite devices. In addition, the device shows a fast response (rise time: 0.33 ms; fall time: 0.38 ms) and a high external quantum efficiency (4.13 × 10 3 %). It is also revealed that the RLPD has a very good device stability even after storage for 3 months under ambient conditions. In summary, we suggest that the CsBi 3 I 10 perovskite photodetector developed in this study may have potential applications in future optoelectronic systems.

Planar-integrated single-crystalline perovskite photodetectors

KAUST Repository

Saidaminov, Makhsud I.

2015-11-09

Hybrid perovskites are promising semiconductors for optoelectronic applications. However, they suffer from morphological disorder that limits their optoelectronic properties and, ultimately, device performance. Recently, perovskite single crystals have been shown to overcome this problem and exhibit impressive improvements: low trap density, low intrinsic carrier concentration, high mobility, and long diffusion length that outperform perovskite-based thin films. These characteristics make the material ideal for realizing photodetection that is simultaneously fast and sensitive; unfortunately, these macroscopic single crystals cannot be grown on a planar substrate, curtailing their potential for optoelectronic integration. Here we produce large-area planar-integrated films made up of large perovskite single crystals. These crystalline films exhibit mobility and diffusion length comparable with those of single crystals. Using this technique, we produced a high-performance light detector showing high gain (above 104 electrons per photon) and high gain-bandwidth product (above 108 Hz) relative to other perovskite-based optical sensors.

A New Generation of Luminescent Materials Based on Low-Dimensional Perovskites

KAUST Repository

Pan, Jun

2017-06-02

Low-dimensional perovskites with high luminescence properties are promising materials for optoelectronic applications. In this article, properties of two emerging types of low-dimensional perovskites are discussed, including perovskite quantum dots CsPbX3 (X = Cl, Br or I) and zero-dimensional perovskite Cs4PbBr6. Moreover, their application for light down conversion in LCD backlighting systems and in visible light communication are also presented. With their superior optical properties, we believe that further development of these materials will potentially open more prospective applications, especially for optoelectronics devices.

Preparation and properties of crystals of mixed refractory oxides with perovskite structure

Energy Technology Data Exchange (ETDEWEB)

Melekh, B T; Andreev, A A; Kartenko, N F; Pevtsov, A B; Trepakov, V A; Filin, Yu N [AN SSSR, Moscow. Fiziko-Tekhnicheskij Inst.

1982-10-01

Peculiar features of crystal growth of some complex refractory oxides with perovskite structure using the method of direct high-frequency melting in a cold container are studied. Melting, synthesis and directed crystallization have been conducted in the air. X-ray diffraction investigations of the prepared SrTiO/sub 3/, CaZrO/sub 3/, BaZrO/sub 3/, BaHFO/sub 3/, LaCrO/sub 3/, YCrO/sub 3/, ErCrO/sub 3/, La/sub 2/Ti/sub 2/O/sub 7/, LaTaO/sub 3/ and other oxides are conducted, lattice parameters are given. Optical spectra of absorption, photo- and thermoluminescence and thermostimulated currents are studied.

Amine-Based Passivating Materials for Enhanced Optical Properties and Performance of Organic-Inorganic Perovskites in Light-Emitting Diodes.

Science.gov (United States)

Lee, Seungjin; Park, Jong Hyun; Lee, Bo Ram; Jung, Eui Dae; Yu, Jae Choul; Di Nuzzo, Daniele; Friend, Richard H; Song, Myoung Hoon

2017-04-20

The use of hybrid organic-inorganic perovskites in optoelectronic applications are attracting an interest because of their outstanding characteristics, which enable a remarkable enhancement of device efficiency. However, solution-processed perovskite crystals unavoidably contain defect sites that cause hysteresis in perovskite solar cells (PeSCs) and blinking in perovskite light-emitting diodes (PeLEDs). Here, we report significant beneficial effects using a new treatment based on amine-based passivating materials (APMs) to passivate the defect sites of methylammonium lead tribromide (MAPbBr 3 ) through coordinate bonding between the nitrogen atoms and undercoordinated lead ions. This treatment greatly enhanced the PeLED's efficiency, with an external quantum efficiency (EQE) of 6.2%, enhanced photoluminescence (PL), a lower threshold for amplified spontaneous emission (ASE), a longer PL lifetime, and enhanced device stability. Using confocal microscopy, we observed the cessation of PL blinking in perovskite films treated with ethylenediamine (EDA) due to passivation of the defect sites in the MAPbBr 3 .

Phase transitions induced on hexagonal manganites by the incorporation of aliovalent cations on A or B lattice sites

Directory of Open Access Journals (Sweden)

Moure, C.

1999-10-01

Full Text Available The phase transition to perovskite-type structure, that occurs in some hexagonal manganites when foreign cations are incorporated into solid solution, has been studied. Several solid solution series belonging to the Y(Mn, NiO3, (Er, CaMnO3, (Y, CaMnO3, systems have been prepared by solid state reaction between the corresponding oxides. The crystalline structure of the different solid solutions has been established. The behaviour of the (Gd, CaMnO3 system has been taken as a reference. The obtained results are discussed as a function of the tolerance factor and the Mn3+/Mn4+ ratio. The transition to perovskite structure is governed by this Mn3+/Mn4+ ratio rather than the increase of the tolerance factor.

Se ha estudiado la transición de fase a estructura de tipo perovskita que ocurre en algunas manganitas hexagonales cuando se incorporan iones aliovalentes formando soluciones sólidas. Se han preparado soluciones sólidas pertenecientes a los sistemas Y(Mn, NiO3, (Er, CaMnO3, (Y, CaMnO3 por reacción en estado sólido entre los óxidos. Se ha determinado la estructura cristalina de los diferentes compuestos, y los resultados se comparan con los observados en los correspondientes al sistema (Gd, CaMnO3. Los resultados se discuten en función del factor de tolerancia y de la razón Mn3+/Mn4+. La transición es gobernada por dicha razón más bien que por la variación del factor de tolerancia.

A-Site Cation Substitutions in Strained Y-Doped BaZrO₃ Multilayer Films Leading to Fast Proton Transport Pathways

Energy Technology Data Exchange (ETDEWEB)

Aruta, Carmela [Univ. of Roma Tor Vergata, Rome (Italy); Han, Chu [Georgia Inst. of Technology, Atlanta, GA (United States); Zhou, Si [Dalian Univ. of Technology, Dalian (China); Cantoni, Claudia [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yang, Nan [Univ. of Roma Tor Vergata, Rome (Italy); Tebano, Antonello [Univ. of Roma Tor Vergata, Rome (Italy); Lee, Tien -Lin [Diamond Light Source Ltd., Didcot (United Kingdom); Schlueter, Christoph [Diamond Light Source Ltd., Didcot (United Kingdom); Bongiorno, Angelo [College of Staten Island, Staten Island, NY (United States); The Graduate Center of the City Univ. of New York, New York, NY (United States)

2016-03-31

Proton-conducting perovskite oxides form a class of solid electrolytes for novel electrochemical devices operating at moderate temperatures. Here, we use hard X-ray photoelectron spectroscopy, scanning transmission electron microscopy, and density functional theory calculations to investigate the structure and elucidate the origin of the fast proton transport properties of strained ultrathin films of Y-doped BaZrO₃ grown by pulsed lased deposition on NdGaO₃. Our study shows that our BaZr_0.8Y_0.2O₃ films incorporate a significant amount of Y dopants, and to a lesser extent also Zr ions, substituting for Ba²⁺, and that these substitutional defects agglomerate forming columnar regions crossing vertically from the surface to the interface the entire film. In conclusion, our calculations also show that, in regions rich in Y substitutions for both Zr and Ba, the proton transfer process involves nearly zero-energy barriers, indicating that A-site cation substitutions by Y lead to fast transport pathways and hence are responsible for the previously observed enhanced values of the proton conductivity of these perovskite oxide films.

On the superconducting state in Ba0.6K0.4BiO3 perovskite oxide

Science.gov (United States)

Szcześniak, D.; Kaczmarek, A. Z.; Drzazga, E. A.; Szewczyk, K. A.; Szcześniak, R.

2018-05-01

We report study on the superconducting state in Ba0.6K0.4BiO3 (BKBO) perovskite oxide, motivated by the inconclusive results on the pairing mechanism in this compound. Our investigations are conducted within the Migdal-Eliashberg formalism, to account for the phonon-mediated superconducting phase. The considered doping level of the discussed material corresponds to the highest critical temperature in this compound, and allows simultaneous analysis of the oxygen isotope effect, for the O16 and O18 isotopes, respectively. We found that such effect is particularly visible for the critical values of the Coulomb pseudopotential (μC⋆) , which equals to 0.18 for the O16 and 0.16 for the O18 isotope in BKBO. Moreover, we determine the size of the superconducting energy band gap (Δg) and note that obtained values (9.68 meV and 9.55 meV for the O16 and O18, respectively) are in good agreement with the experimental predictions which give Δg ∼ 8.68 meV . Finally, we calculate the characteristic dimensionless parameters, such as the zero-temperature energy gap to the critical temperature, the ratio for the specific heat, as well as the ratio associated with the zero-temperature thermodynamic critical field, which suggest occurrence of the strong-coupling and retardation effects within the phonon-mediated scenario in the analyzed material. Where possible the dimensionless ratios are compared to the experimental estimates, and agrees with these which account for the strong-coupling character of the BKBO superconductor.

Highly Reproducible Sn-Based Hybrid Perovskite Solar Cells with 9% Efficiency

NARCIS (Netherlands)

Shao, Shuyan; Liu, Jian; Portale, Giuseppe; Fang, Hong-Hua; Blake, Graeme R.; ten Brink, Gert H.; Koster, L. Jan Anton; Loi, Maria Antonietta

2018-01-01

The low power conversion efficiency (PCE) of tin-based hybrid perovskite solar cells (HPSCs) is mainly attributed to the high background carrier density due to a high density of intrinsic defects such as Sn vacancies and oxidized species (Sn4+) that characterize Sn-based HPSCs. Herein, this study

Microstructural and electrical changes in nickel manganite powder induced by mechanical activation

International Nuclear Information System (INIS)

Savic, S.M.; Mancic, L.; Vojisavljevic, K.; Stojanovic, G.; Brankovic, Z.; Aleksic, O.S.; Brankovic, G.

2011-01-01

Highlights: → The influence of mechanical activation on microstructure evolution in the nickel manganite powder was investigated as well as electrical properties of the sintered samples. → Structural refinement obtained by Topas-Academic software based on Rietveld analysis showed that the milling process remarkably changed the powder morphology and microstructure. → SEM studies of sintered samples also revealed the strong influence of milling time on ceramics density (increases with milling time). → The electrical properties of ceramic samples are clearly conditioned by terms of synthesis, in our case the time of mechanical activation. → The highest density and higher values of dielectric constant were achieved at the sample activated for 45 min. -- Abstract: Nickel manganite powder synthesized by calcination of a stoichiometric mixture of manganese and nickel oxide was additionally mechanically activated in a high energy planetary ball mill for 5-60 min in order to obtain a pure NiMn 2 O 4 phase. The as-prepared powders were uniaxially pressed into disc shape pellets and then sintered for 60 min at 1200 o C. Changes in the particle morphology induced by mechanical activation were monitored using scanning electron microscopy, while changes in powder structural characteristics were followed using X-ray powder diffraction. The ac impedance spectroscopy was performed on sintered nickel manganite samples at 25 o C, 50 o C and 80 o C. It was shown that mechanical activation intensifies transport processes causing a decrease in the average crystallites size, while longer activation times can lead to the formation of aggregates, defects and increase of lattice microstrains. The observed changes in microstructures were correlated with measured electrical properties in order to define optimal processing conditions.

Ab initio study of double perovskites Ba_2DySbO_6

International Nuclear Information System (INIS)

Jha, Dhiraj Kumar; Mandal, Golak; Singh, B. K.; Ray, Chandan; Himanshu, A. K.; Kumar, Uday; Choudhary, B. K.

2016-01-01

First principle study of the electronic band structure of Ba2DySbO_6 synthesied by the solid state reaction technique have been performed within the framework of density function theory using WIEN2K. It has been shown in the absence of electron-electron interaction (U=0), BaDySO_6 behaves like a half-metal. Even in the presence of DFT+U, electron-electron interaction via the Hubbard term (from U = 0, 2.72e -7.02 eV), it still shows half metals.

Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

KAUST Repository

Qin, Peng

2014-05-12

Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

Inorganic hole conductor-based lead halide perovskite solar cells with 12.4% conversion efficiency

KAUST Repository

Qin, Peng; Tanaka, Soichiro; Ito, Seigo; Tetreault, Nicolas; Manabe, Kyohei; Nishino, Hitoshi; Nazeeruddin, Mohammad Khaja; Grä tzel, Michael

2014-01-01

Organo-lead halide perovskites have attracted much attention for solar cell applications due to their unique optical and electrical properties. With either low-temperature solution processing or vacuum evaporation, the overall conversion efficiencies of perovskite solar cells with organic hole-transporting material were quickly improved to over 15% during the last 2 years. However, the organic hole-transporting materials used are normally quite expensive due to complicated synthetic procedure or high-purity requirement. Here, we demonstrate the application of an effective and cheap inorganic p-type hole-transporting material, copper thiocyanate, on lead halide perovskite-based devices. With low-temperature solution-process deposition method, a power conversion efficiency of 12.4% was achieved under full sun illumination. This work represents a well-defined cell configuration with optimized perovskite morphology by two times of lead iodide deposition, and opens the door for integration of a class of abundant and inexpensive material for photovoltaic application. © 2014 Macmillan Publishers Limited.

Co2FeAl based magnetic tunnel junctions with BaO and MgO/BaO barriers

Directory of Open Access Journals (Sweden)

J. Rogge

2015-07-01

Full Text Available We succeed to integrate BaO as a tunneling barrier into Co2FeAl based magnetic tunnel junctions (MTJs. By means of Auger electron spectroscopy it could be proven that the applied annealing temperatures during BaO deposition and afterwards do not cause any diffusion of Ba neither into the lower Heusler compound lead nor into the upper Fe counter electrode. Nevertheless, a negative tunnel magnetoresistance (TMR ratio of -10% is found for Co2FeAl (24 nm / BaO (5 nm / Fe (7 nm MTJs, which can be attributed to the preparation procedure and can be explained by the formation of Co- and Fe-oxides at the interfaces between the Heusler and the crystalline BaO barrier by comparing with theory. Although an amorphous structure of the BaO barrier seems to be confirmed by high-resolution transmission electron microscopy (TEM, it cannot entirely be ruled out that this is an artifact of TEM sample preparation due to the sensitivity of BaO to moisture. By replacing the BaO tunneling barrier with an MgO/BaO double layer barrier, the electric stability could effectively be increased by a factor of five. The resulting TMR effect is found to be about +20% at room temperature, although a fully antiparallel state has not been realized.

Intrinsic Defect Physics in Indium-based Lead-free Halide Double Perovskites.

Science.gov (United States)

Xu, Jian; Liu, Jian-Bo; Liu, Bai-Xin; Huang, Bing

2017-09-21

Lead-free halide double perovskites (HDPs) are expected to be promising photovoltaic (PV) materials beyond organic-inorganic halide perovskite, which is hindered by its structural instability and toxicity. The defect- and stability-related properties of HDPs are critical for the use of HDPs as important PV absorbers, yet their reliability is still unclear. Taking Cs 2 AgInBr 6 as a representative, we have systemically investigated the defect properties of HDPs by theoretical calculations. First, we have determined the stable chemical potential regions to grow stoichiometric Cs 2 AgInBr 6 without structural decomposition. Second, we reveal that Ag-rich and Br-poor are the ideal chemical potential conditions to grow n-type Cs 2 AgInBr 6 with shallow defect levels. Third, we find the conductivity of Cs 2 AgInBr 6 can change from good n-type, to poorer n-type, to intrinsic semiconducting depending on the growth conditions. Our studies provided important guidance for experiments to fabricate Pb-free perovskite-based solar cell devices with superior PV performances.

Antimony doped barium strontium ferrite perovskites as novel cathodes for intermediate-temperature solid oxide fuel cells

Energy Technology Data Exchange (ETDEWEB)

Ling, Yihan, E-mail: lyhyy@mail.ustc.edu.cn [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Lu, Xiaoyong [China Anhui Key Laboratory of Low Temperature Co-fired Materials, Department of Chemistry, Huainan Normal University, Huainan, Anhui, 232001 (China); Niu, Jinan; Chen, Hui [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Ding, Yanzhi [China Anhui Key Laboratory of Low Temperature Co-fired Materials, Department of Chemistry, Huainan Normal University, Huainan, Anhui, 232001 (China); Ou, Xuemei [School of Materials Science and Engineering, China University of Mining and Technology, Xuzhou, 221116 (China); Zhao, Ling [Department of Material Science and Chemistry, China University of Geosciences, Wuhan, 430074 (China)

2016-05-05

Antimony was doped to barium strontium ferrite to produce ferrite-based perovskites with a composition of Ba{sub 0.5}Sr{sub 0.5}Fe{sub 1−x}Sb{sub x}O{sub 3−δ} (x = 0.0, 0.05, 0.1) as novel cathode materials for intermediate-temperature solid oxide fuel cells (IT-SOFCs). The perovskite properties including oxygen nonstoichiometry (δ), mean valence of B-site, tolerance factors, thermal expansion coefficient (TEC) and electrical conductivity (σ) are explored as a function of antimony content. By defect chemistry analysis, the TECs decrease since the variable oxygen vacancy concentration is decreased by Sb doping, and σ decreases with x due to the reduced charge concentration of Fe{sup 4+} content. Consequently, the electrochemical performance was substantially improved and the interfacial polarization resistance was reduced from 0.213 to 0.120 Ωcm{sup 2} at 700 °C with Sb doping. The perovskite with x = 1.0 is suggested as the most promising composition as SOFC cathode material. - Highlights: • Antimony is doped to barium strontium ferrite to produce novel cathodes. • δ, TECs and σ are evaluated as a function of antimony content. • The electrochemical performance is substantially improved with antimony doping.

Dynamic surface self-reconstruction is the key of highly active perovskite nano-electrocatalysts for water splitting

Science.gov (United States)

Fabbri, Emiliana; Nachtegaal, Maarten; Binninger, Tobias; Cheng, Xi; Kim, Bae-Jung; Durst, Julien; Bozza, Francesco; Graule, Thomas; Schäublin, Robin; Wiles, Luke; Pertoso, Morgan; Danilovic, Nemanja; Ayers, Katherine E.; Schmidt, Thomas J.

2017-09-01

The growing need to store increasing amounts of renewable energy has recently triggered substantial R&D efforts towards efficient and stable water electrolysis technologies. The oxygen evolution reaction (OER) occurring at the electrolyser anode is central to the development of a clean, reliable and emission-free hydrogen economy. The development of robust and highly active anode materials for OER is therefore a great challenge and has been the main focus of research. Among potential candidates, perovskites have emerged as promising OER electrocatalysts. In this study, by combining a scalable cutting-edge synthesis method with time-resolved X-ray absorption spectroscopy measurements, we were able to capture the dynamic local electronic and geometric structure during realistic operando conditions for highly active OER perovskite nanocatalysts. Ba0.5Sr0.5Co0.8Fe0.2O3-δ as nano-powder displays unique features that allow a dynamic self-reconstruction of the material’s surface during OER, that is, the growth of a self-assembled metal oxy(hydroxide) active layer. Therefore, besides showing outstanding performance at both the laboratory and industrial scale, we provide a fundamental understanding of the operando OER mechanism for highly active perovskite catalysts. This understanding significantly differs from design principles based on ex situ characterization techniques.

Lattice effects on ferromagnetism in perovskite ruthenates

Science.gov (United States)

Cheng, J.-G.; Zhou, J.-S.; Goodenough, John B.

2013-01-01

Ferromagnetism and its evolution in the orthorhombic perovskite system Sr1–xCaxRuO3 have been widely believed to correlate with structural distortion. The recent development of high-pressure synthesis of the Ba-substituted Sr1–yBayRuO3 makes it possible to study ferromagnetism over a broader phase diagram, which includes the orthorhombic Imma and the cubic phases. However, the chemical substitutions introduce the A-site disorder effect on Tc, which complicates determination of the relationship between ferromagnetism and structural distortion. By clarifying the site disorder effect on Tc in several unique series of ruthenates in which the average bond length 〈A–O〉 remains the same but the bond-length variance varies, we are able to demonstrate a parabolic curve of Tc versus mean bond length 〈A–O〉. A much higher Tc ∼ 177 K than that found in orthorhombic SrRuO3 can be obtained from the curve at a bond length 〈A–O〉, which makes the geometric factor t = 〈A–O〉/(√2〈Ru–O〉) ∼ 1. This result reveals not only that the ferromagnetism in the ruthenates is extremely sensitive to the lattice strain, but also that it has an important implication for exploring the structure–property relationship in a broad range of oxides with perovskite or a perovskite-related structure. PMID:23904477

Study of radiation damage in BaTiO3, using Molecular-dynamics simulations

International Nuclear Information System (INIS)

Gonzalez, E.; Abreu, Y.; Cruz, C. M.; Pinnera, I.; Leyva, A.

2015-01-01

Molecular-dynamics (MD) simulations were used to calculate atomic displacement probability curves along main crystallographic directions in BaTiO 3 perovskite. A primary knock-on atom (PKA) with a energy range between 10 to 300 eV in principal crystallographic directions at 300 K was introduced. For each sublattice, the simulation was repeated from different initial conditions to estimate the variation in the defect formation process. The formation of Frenkel pairs vary considerably with crystallographic direction and sublattice. Major quantity oxygen defects were found for all the simulated crystallographic directions. Threshold displacement energies are calculated for each atomic specie in the BaTiO 3 material. Also simulations with SRIM code, modeling + Mn implantation in a BaTiO 3 target, at 250 keV were made. (Author)

Interface energy band alignment at the all-transparent p-n heterojunction based on NiO and BaSnO3

Science.gov (United States)

Zhang, Jiaye; Han, Shaobo; Luo, Weihuang; Xiang, Shuhuai; Zou, Jianli; Oropeza, Freddy E.; Gu, Meng; Zhang, Kelvin H. L.

2018-04-01

Transparent oxide semiconductors hold great promise for many optoelectronic devices such as transparent electronics, UV-emitting devices, and photodetectors. A p-n heterojunction is the most ubiquitous building block to realize these devices. In this work, we report the fabrication and characterization of the interface properties of a transparent heterojunction consisting of p-type NiO and n-type perovskite BaSnO3. We show that high-quality NiO thin films can be epitaxially grown on BaSnO3 with sharp interfaces because of a small lattice mismatch (˜1.3%). The diode fabricated from this heterojunction exhibits rectifying behavior with a ratio of 500. X-ray photoelectron spectroscopy reveals a type II or "staggered" band alignment with valence and conduction band offsets of 1.44 eV and 1.86 eV, respectively. Moreover, a large upward band bending potential of 0.90 eV for BaSnO3 and a downward band bending potential of 0.15 eV for NiO were observed in the interface region. Such electronic properties have important implication for optoelectronic applications as the large built-in potential provides favorable energetics for photo-generated electron-hole separation/migration.

Structure and magnetic properties of Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H-polytype in the Ba-Ce-Mn-O system

Energy Technology Data Exchange (ETDEWEB)

Macias, Mario A. [Grupo de Investigacion en Quimica Estructural (GIQUE), Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudad Universitaria, Bucaramanga (Colombia); Mentre, Olivier [Universite Lille Nord de France, Unite de Catalyse et de Chimie du Solide, Equipe Chimie du Solide, Avenue Dimitri Mendeleieev, Batiment C7, ENSCL/UST Lille 1, BP 90108, 59652 Villeneuve d' Ascq Cedex (France); Colis, Silviu [Institut de Physique et Chimie des Materiaux de Strasbourg (IPCMS), UMR 7504 UDS-CNRS (UDS-ECPM), 23 rue du Loess, BP 43, F-67034 Strasbourg Cedex 2 (France); Cuello, Gabriel J. [Institut Laue Langevin, 6 rue Jules Horowitz BP 156, F-38042 Grenoble cedex 9 (France); Gauthier, Gilles H., E-mail: gilgau@uis.edu.co [Grupo de Investigacion en Quimica Estructural (GIQUE), Universidad Industrial de Santander, A.A. 678, Carrera 27, Calle 9, Ciudad Universitaria, Bucaramanga (Colombia); CEA, LITEN, Laboratoire d' Innovation Technologique et des Energies Nouvelles, 17 rue des Martyrs, 38054 Grenoble (France)

2013-02-15

Based on the peculiar magnetic properties that are observed in pseudo one-dimensional manganites, we decided to synthesize the new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} compound. The preparation was performed by solid state reaction in air at about 1350 Degree-Sign C, for which we found that the compound crystallizes in a hexagonal symmetry with space group P6{sub 3}/mmc (No-194) and cell parameters a=b=5.7861(2) A and c=23.902(1) A. The structural description was correlated with neutron diffraction and bond valence calculations, confirming the presence of Ce{sup 4+} and Mn{sup 4+} segregated in the different crystallographic positions. Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} displays evidence for strong AFM couplings already set at room temperature. The main arrangement of Mn{sup 4+} in magnetically isolated tetramers of face-sharing octahedra is responsible for a metamagnetic-like transition around 50 K. - Graphical abstract: The new Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15} polytype shows strong AFM couplings in magnetically isolated [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers of face-sharing octahedral, resulting in a metamagnetic-like transition around 50 K. Highlights: Black-Right-Pointing-Pointer Ba{sub 5}Ce{sub 1.25}Mn{sub 3.75}O{sub 15}, a new 10H polytype, has been prepared in the Ba-Ce-Mn-O system. Black-Right-Pointing-Pointer The compound crystallizes in the P6{sub 3}/mmc space group with (cchhh){sub 2} stacking sequence. Black-Right-Pointing-Pointer [Ce{sub 0.25}Mn{sub 3.75}O{sub 15}] tetramers are separated by [CeO{sub 6}] octahedra in the structure. Black-Right-Pointing-Pointer Instead of robust AFM ordering, a metamagnetic-like transition is found around 50 K.

Thermoelectric properties of Ba3Co2O6(CO3)0.7 containing one-dimensional CoO6 octahedral columns

OpenAIRE

Iwasaki, Kouta; Yamamoto, Teruhisa; Yamane, Hisanori; Takeda, Takashi; Arai, Shigeo; Miyazaki, Hidetoshi; Tatsumi, Kazuyoshi; Yoshino, Masahito; Ito, Tsuyoshi; Arita, Yuji; Muto, Shunsuke; Nagasaki, Takanori; Matsui, Tsuneo

2009-01-01

The thermoelectric properties of Ba3Co2O6(CO3)0.7 have been investigated using prismatic single crystals elongated along the c axis. Ba3Co2O6(CO3)0.7 has a pseudo-one-dimensional structure similar to that of 2H perovskite-type BaCoO3 and contains CoO6 octahedral columns running parallel to the c axis. The prismatic crystals are grown by a flux method using a K2CO3–BaCl2 flux. The electrical conductivity(σ) along the columns (c axis) exhibits a metallic behavior (670–320 S cm−1 in the temperat...

Large magnetovolume effect induced by ferromagnetic-antiferromagnetic competition in a cobaltite perovskite

Science.gov (United States)

Miao, Ping; Lin, Xiaohuan; Koda, Akihiro; Lee, Sanghyun; Ishikawa, Yoshihisa; Torii, Shuki; Yonemura, Masao; Mochiku, Takashi; Sagayama, Hajime; Itoh, Shinichi; Wang, Yinxia; Kadono, Ryosuke; Kamiyama, Takashi

Materials that show negative thermal expansion (NTE) have significant industrial merit because they can be used to fabricate composites whose dimensions remain invariant upon heating. In some materials, NTE is concomitant with the spontaneous magnetization, known as the magnetovolume effect (MVE). Here we report a new class of MVE material; namely, a layered perovskite PrBaCo2O5.5+ x (0 financed by the S-type project (No. 2014S05) of KEK.

Photovoltaic Effect of 2D Homologous Perovskites

International Nuclear Information System (INIS)

Jung, Mi-Hee

2017-01-01

Highlights: • The mixed perovskite was prepared by exposure of MAI gas on the BAPbI_4 film. • The increased dimensional perovskite shows a smaller band gap than 2D perovskite. • The mixed perovskite system shows the vertical crystal orientation. • The mixed perovskite cell exhibits the higher Jsc and FF than 2D perovskite cell. - Abstract: The controlled growth of mixed dimensional perovskite structures, (C_6H_5CH_2NH_2)(CH_3NH_3)_n_-_1Pb_nI_3_n_+_1, through the introduction of CH_3NH_3I molecule vapor into the two-dimensional perovskite C_6H_5CH_2NH_3PbI_4 structure and its application in photovoltaic devices is reported. The dimensionality of (C_6H_5CH_2NH_2)(CH_3NH_3)_n_-_1Pb_nI_3_n_+_1 is controlled using the exposure time to the CH_3NH_3I vapor on the C_6H_5CH_2NH_3PbI_4 perovskite film. As the stacking of the lead iodide lattice increases, the crystallographic planes of the inorganic perovskite compound exhibit vertical growth in order to facilitate efficient charge transport. Furthermore, the devices have a smaller band gap, which offers broader absorption and the potential to increase the photocurrent density in the solar cell. As a result, the photovoltaic device based on the (C_6H_5CH_2NH_2)(CH_3NH_3)_n_-_1Pb_nI_3_n_+_1 perovskite exhibits a power conversion efficiency of 5.43% with a short circuit current density of 14.49 mA cm"−"2, an open circuit voltage of 0.85 V, and a fill factor of 44.30 for the best power conversion efficiency under AM 1.5G solar irradiation (100 mW cm"−"2), which is significantly higher than the 0.34% of the pure two-dimensional BAPbI_4 perovskite-based solar cell.

Random lasing actions in self-assembled perovskite nanoparticles

Science.gov (United States)

Liu, Shuai; Sun, Wenzhao; Li, Jiankai; Gu, Zhiyuan; Wang, Kaiyang; Xiao, Shumin; Song, Qinghai

2016-05-01

Solution-based perovskite nanoparticles have been intensively studied in the past few years due to their applications in both photovoltaic and optoelectronic devices. Here, based on the common ground between solution-based perovskite and random lasers, we have studied the mirrorless lasing actions in self-assembled perovskite nanoparticles. After synthesis from a solution, discrete lasing peaks have been observed from optically pumped perovskites without any well-defined cavity boundaries. We have demonstrated that the origin of the random lasing emissions is the scattering between the nanostructures in the perovskite microplates. The obtained quality (Q) factors and thresholds of random lasers are around 500 and 60 μJ/cm2, respectively. Both values are comparable to the conventional perovskite microdisk lasers with polygon-shaped cavity boundaries. From the corresponding studies on laser spectra and fluorescence microscope images, the lasing actions are considered random lasers that are generated by strong multiple scattering in random gain media. In additional to conventional single-photon excitation, due to the strong nonlinear effects of perovskites, two-photon pumped random lasers have also been demonstrated for the first time. We believe this research will find its potential applications in low-cost coherent light sources and biomedical detection.

Spin glass behavior in nanogranular La0.25Ca0.75MnO3 manganites

International Nuclear Information System (INIS)

2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" data-affiliation=" (Grup de Magnetisme, Dept. Física Fonamental, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, planta 4, edifici nou, 08028 Barcelona (Spain); Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" >Fernández-Martínez, Antoni; 2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" data-affiliation=" (Grup de Magnetisme, Dept. Física Fonamental, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, planta 4, edifici nou, 08028 Barcelona (Spain); Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" >García-Santiago, Antoni; 2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" data-affiliation=" (Grup de Magnetisme, Dept. Física Fonamental, Facultat de Física, Universitat de Barcelona, Martí i Franquès 1, planta 4, edifici nou, 08028 Barcelona (Spain); Institut de Nanociència i Nanotecnologia IN2UB, Universitat de Barcelona, Martí i Franquès 1, planta 3, edifici nou, 08028 Barcelona (Spain))" >Hernàndez, Joan Manel; Zhang, Tao

2014-01-01

The magnetic properties of two nanogranular La 0.25 Ca 0.75 MnO 3 manganites with different average grain sizes have been studied. Besides the well-known exchange bias effect and the appearance of ferromagnetic clusters in the grains of both samples, the results show the occurrence of an antiferromagnetic transition and spin-glass properties. Both samples are described as core–shell magnetic systems, whose main difference is found in the interface between the outer ferromagnetic and the inner antiferromagnetic phases of the grains. - Highlights: • Nanogranular manganites show antiferromagnetism in magnetic measurements. • Exchange bias effect was observed in magnetic hysteresis cycles. • Spin-glass properties were detected at low temperatures. • A core-shell model was applied to describe the results in both samples. • These features have nothing to do with usual properties of nanoparticle manganites

Perovskite-based Photovoltaics: A New Pathway to Ultra- Low-Cost Space Power

Data.gov (United States)

National Aeronautics and Space Administration — We will determine if the lifetime performance of new perovskite-based solar cells can be engineered for long-term performance for space applications. We will utilize...

Temperature-independent sensors based on perovskite-type oxides

International Nuclear Information System (INIS)

Zaza, F.; Frangini, S.; Masci, A.; Leoncini, J.; Pasquali, M.; Luisetto, I.; Tuti, S.

2013-01-01

The need of energy security and environment sustainability drives toward the development of energy technology in order to enhance the performance of internal combustion engines. Gas sensors play a key role for controlling the fuel oxygen ratio and monitoring the pollution emissions. The perovskite-type oxides can be synthesized for an extremely wide variety of combinations of chemical elements, allowing to design materials with suitable properties for sensing application. Lanthanum strontium ferrites, such as La 0.7 Sr 0.3 FeO 3 , are suitable oxygen sensing materials with temperature-independence conductivity, but they have low chemical stability under reducing conditions. The addition of aluminum into the perovskite structure improves the material properties in order to develop suitable oxygen sensing probes for lean burn engine control systems. Perovskite-type oxides with formula (La 0.7 Sr 0.3 )(Al x Fe 1−x )O 3 was synthesized by the citrate-nitrate combustion synthesis method. XRD analyses, show that it was synthesized a phase-pure powder belonging to the perovskite structure. Aluminum affects both the unit cell parameters, by shrinking the unit cell, and the powder morphology, by promoting the synthesis of particles with small crystallite size and large specific surface area. The partial substitution of iron with aluminum improves the chemical stability under reducing gas conditions and modulates the oxygen sensitivity by affecting the relative amount of Fe 4+ and Fe 3+ , as confirmed from TPR profiles. In the same time, the addition of aluminum does not affects the temperature-independent properties of lanthanum strontium ferrites. Indeed, the electrical measurements show that (La 0.7 Sr 0.3 )(Al x Fe 1−x )O 3 perovskites have temperature-independence conductivity from 900 K

Temperature-independent sensors based on perovskite-type oxides

Energy Technology Data Exchange (ETDEWEB)

Zaza, F.; Frangini, S.; Masci, A. [ENEA-Casaccia R.C., Via Anguillarese 301, 00123 S.Maria di Galeria, Rome (Italy); Leoncini, J.; Pasquali, M. [University La Sapienza, Piazza Via del Castro Laurenziano 7, 00161 Rome (Italy); Luisetto, I.; Tuti, S. [University RomaTre, Rome 00146 (Italy)

2014-06-19

The need of energy security and environment sustainability drives toward the development of energy technology in order to enhance the performance of internal combustion engines. Gas sensors play a key role for controlling the fuel oxygen ratio and monitoring the pollution emissions. The perovskite-type oxides can be synthesized for an extremely wide variety of combinations of chemical elements, allowing to design materials with suitable properties for sensing application. Lanthanum strontium ferrites, such as La{sub 0.7}Sr{sub 0.3}FeO{sub 3}, are suitable oxygen sensing materials with temperature-independence conductivity, but they have low chemical stability under reducing conditions. The addition of aluminum into the perovskite structure improves the material properties in order to develop suitable oxygen sensing probes for lean burn engine control systems. Perovskite-type oxides with formula (La{sub 0.7}Sr{sub 0.3})(Al{sub x}Fe{sub 1−x})O{sub 3} was synthesized by the citrate-nitrate combustion synthesis method. XRD analyses, show that it was synthesized a phase-pure powder belonging to the perovskite structure. Aluminum affects both the unit cell parameters, by shrinking the unit cell, and the powder morphology, by promoting the synthesis of particles with small crystallite size and large specific surface area. The partial substitution of iron with aluminum improves the chemical stability under reducing gas conditions and modulates the oxygen sensitivity by affecting the relative amount of Fe{sup 4+} and Fe{sup 3+}, as confirmed from TPR profiles. In the same time, the addition of aluminum does not affects the temperature-independent properties of lanthanum strontium ferrites. Indeed, the electrical measurements show that (La{sub 0.7}Sr{sub 0.3})(Al{sub x}Fe{sub 1−x})O{sub 3} perovskites have temperature-independence conductivity from 900 K.

Ferroelectric and optical properties of `Ba-doped' new double perovskites

Science.gov (United States)

Parida, B. N.; Panda, Niranjan; Padhee, R.; Parida, R. K.

2018-06-01

Solid solution of Pb1.5Ba0.5BiNbO6 ceramic is explored here to obtain its ferroelectric and optical properties. The polycrystalline sample was prepared by a standard solid state reaction route. Room temperature XRD and FTIR spectra of the compound exhibit an appreciable change in its crystal structure of Pb2BiNbO6 on addition of 'Ba' in A site. The surface morphology of the gold-plated sintered pellet sample recorded by SEM exhibits a uniform distribution of small grains with well-defined grain boundaries. Detailed studies on the nature of polarization and variation of dielectric constant, tangent loss with temperature as well as frequency indicate the existence of Ferro-electricity in the sample. Using UV-Vis spectroscopy, the optical band gap of the studied sample has been estimated as 2.1 eV, which is useful for photo catalytic devices. Photoluminescence analysis of the powder sample shows a strong red photoluminescence with blue excitation, which is basically useful for LED.

Microstructural and electrical changes in nickel manganite powder induced by mechanical activation

Energy Technology Data Exchange (ETDEWEB)

Savic, S.M., E-mail: slavicas@cms.bg.ac.rs [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia); Mancic, L. [Institute of Technical Sciences SASA, Knez Mihailova 35/IV, 11000 Belgrade (Serbia); Vojisavljevic, K. [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia); Stojanovic, G. [Faculty of Technical Sciences University of Novi Sad, Trg Dositeja Obradovica 6, 21000 Novi Sad (Serbia); Brankovic, Z.; Aleksic, O.S.; Brankovic, G. [Institute for Multidisciplinary Research-University of Belgrade, Kneza Viseslava 1a, 11030 Belgrade (Serbia)

2011-07-15

Highlights: {yields} The influence of mechanical activation on microstructure evolution in the nickel manganite powder was investigated as well as electrical properties of the sintered samples. {yields} Structural refinement obtained by Topas-Academic software based on Rietveld analysis showed that the milling process remarkably changed the powder morphology and microstructure. {yields} SEM studies of sintered samples also revealed the strong influence of milling time on ceramics density (increases with milling time). {yields} The electrical properties of ceramic samples are clearly conditioned by terms of synthesis, in our case the time of mechanical activation. {yields} The highest density and higher values of dielectric constant were achieved at the sample activated for 45 min. -- Abstract: Nickel manganite powder synthesized by calcination of a stoichiometric mixture of manganese and nickel oxide was additionally mechanically activated in a high energy planetary ball mill for 5-60 min in order to obtain a pure NiMn{sub 2}O{sub 4} phase. The as-prepared powders were uniaxially pressed into disc shape pellets and then sintered for 60 min at 1200 {sup o}C. Changes in the particle morphology induced by mechanical activation were monitored using scanning electron microscopy, while changes in powder structural characteristics were followed using X-ray powder diffraction. The ac impedance spectroscopy was performed on sintered nickel manganite samples at 25 {sup o}C, 50 {sup o}C and 80 {sup o}C. It was shown that mechanical activation intensifies transport processes causing a decrease in the average crystallites size, while longer activation times can lead to the formation of aggregates, defects and increase of lattice microstrains. The observed changes in microstructures were correlated with measured electrical properties in order to define optimal processing conditions.