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Showing papers on "Tetragonal crystal system published in 2009"


Journal ArticleDOI
TL;DR: Li et al. as mentioned in this paper have successfully synthesized a high-purity polycrystalline sample of tetragonal Li7La3Zr2O12, which is composed of two types of dodecahedral LaO8 and octahedral ZrO6.

613 citations


Journal ArticleDOI
TL;DR: High resolution electron microscopy at low temperatures further reveals an unexpected additional modulation of the crystal structure of the superconducting phase that involves displacements of the Fe atoms, and that the nonsuperconducting composition shows a different, complex nanometer-scale structural modulation.
Abstract: In this Letter we show that superconducting ${\mathrm{Fe}}_{1.01}\mathrm{Se}$ undergoes a structural transition at 90 K from a tetragonal to an orthorhombic phase but that nonsuperconducting ${\mathrm{Fe}}_{1.03}\mathrm{Se}$ does not. High resolution electron microscopy at low temperatures further reveals an unexpected additional modulation of the crystal structure of the superconducting phase that involves displacements of the Fe atoms, and that the nonsuperconducting composition shows a different, complex nanometer-scale structural modulation. Finally, we show that magnetism is not the driving force for the phase transition in the superconducting phase.

428 citations


Journal ArticleDOI
TL;DR: In this article, the electric field-induced phase transformation from a pseudocubic to tetragonal symmetry has been studied in 93% (Bi0.5Na 0.5 Na 0.7% BaTiO3 polycrystalline ceramic, where high energy x-ray diffraction is used to illustrate the microstructural nature of the transformation.
Abstract: The electric-field-induced strain in 93%(Bi0.5Na0.5)TiO3–7%BaTiO3 polycrystalline ceramic is shown to be the result of an electric-field-induced phase transformation from a pseudocubic to tetragonal symmetry. High-energy x-ray diffraction is used to illustrate the microstructural nature of the transformation. A combination of induced unit cell volumetric changes, domain texture, and anisotropic lattice strains are responsible for the observed macroscopic strain. This strain mechanism is not analogous to the high electric-field-induced strains observed in lead-based morphotropic phase boundary systems. Thus, systems which appear cubic under zero field should not be excluded from the search for lead-free piezoelectric compositions.

337 citations


Journal ArticleDOI
TL;DR: Data from a comparison study on Mn oxide-related compounds with different crystallographic forms represent a clear signature for identifying beta-MnO(2) and alpha-MmO( 2) type materials via RS spectroscopy.

331 citations


Journal ArticleDOI
TL;DR: The structural and dielectric properties of (1−x)BaTiO3-BiScO3 (x=0-0.5) ceramics were investigated to acquire a better understanding of the binary system, including determination of the symmetry of the phases, the associated dielectrics properties, and the differences in the roles of Bi2O3 and BiScO 3 substitutions in a BaTiO 3 solid solution as mentioned in this paper.
Abstract: The structural and dielectric properties of (1−x)BaTiO3–xBiScO3 (x=0–0.5) ceramics were investigated to acquire a better understanding of the binary system, including determination of the symmetry of the phases, the associated dielectric properties, and the differences in the roles of Bi2O3 and BiScO3 substitutions in a BaTiO3 solid solution. The solubility limit for BiScO3 into the BaTiO3 perovskite structure was determined to be about x=0.4. A systematic structural change from the ferroelectric tetragonal phase to a pseudo-cubic one was observed at about x=0.05–0.075 at room temperature. Dielectric measurements revealed a gradual change from proper ferroelectric behavior in pure BaTiO3 to highly diffusive and dispersive relaxor-like characteristics from 10 to 40 mol% BiScO3. Several of the compositions showed high relative permittivities with low-temperature coefficients of capacitance over a wide range of temperature. Quantification of the relaxation behavior was obtained through the Vogel–Fulcher model, which yielded an activation energy of 0.2–0.3 eV. The attempt characteristic frequency was 1013 Hz and the freezing temperature, Tf, ranged from −177° to −93°C as a function of composition. The high coercive fields, low remanent polarization, and high activation energies suggest that in the BiScO3–BaTiO3 solid solutions, the polarization in nanopolar regions is weakly coupled from region to region, limiting the ability to obtain long-range dipole ordering in these relaxors under field-cooled conditions.

307 citations


Journal ArticleDOI
TL;DR: By the first-principles electronic structure calculations, it is found that the ground state of PbO-type tetragonal alpha-FeTe is in a bicollinear antiferromagnetic order, in which the Fe local moments align ferromagnetically along a diagonal direction and antiferronagnetic along the other diagonal direction on the Fe square lattice.
Abstract: By the first-principles electronic structure calculations, we find that the ground state of PbO-type tetragonal alpha-FeTe is in a bicollinear antiferromagnetic order, in which the Fe local moments (similar to 2.5 mu(B)) align ferromagnetically along a diagonal direction and antiferromagnetically along the other diagonal direction on the Fe square lattice. This novel bicollinear order results from the interplay among the nearest, the next-nearest, and the next-next-nearest neighbor superexchange interactions, mediated by Te 5p band. In contrast, the ground state of alpha-FeSe is in a collinear antiferromagnetic order, similar to those in LaFeAsO and BaFe(2)As(2). This finding sheds new light on the origin of magnetic ordering in Fe-based superconductors.

252 citations


Journal ArticleDOI
TL;DR: It is demonstrated that the phase-transition temperature and hysteresis can be tuned by scaling VO(2) to nanoscale dimensions, which makes this material an attractive candidate for the fabrication of optical limiting elements, thermochromic coatings, and Mott field-effect transistors.
Abstract: The first-order metal-insulator phase transition in VO(2) is characterized by an ultrafast several-orders-of-magnitude change in electrical conductivity and optical transmittance, which makes this material an attractive candidate for the fabrication of optical limiting elements, thermochromic coatings, and Mott field-effect transistors. Here, we demonstrate that the phase-transition temperature and hysteresis can be tuned by scaling VO(2) to nanoscale dimensions. A simple hydrothermal protocol yields anisotropic free-standing single-crystalline VO(2) nanostructures with a phase-transition temperature depressed to as low as 32 degrees C from 67 degrees C in the bulk. The observations here point to the importance of carefully controlling the stoichiometry and dimensions of VO(2) nanostructures to tune the phase transition in this system.

191 citations


Journal ArticleDOI
TL;DR: In this paper, the photocatalytic activity of the as-obtained CuFe2O4 nanoparticles has been evaluated based on the H2 evolution from aqueous oxalic acid solution under visible light irradiation.

172 citations


Journal ArticleDOI
TL;DR: Inelastic neutron scattering measurements on single crystals of superconducting BaFe1.84Co0.16As2 reveal a magnetic excitation located at wave vectors in tetragonal notation, indicating that the magnetic fluctuations are two dimensional in nature.
Abstract: nelastic neutron scattering measurements on single crystals of superconducting BaFe1.84Co0.16As2 reveal a magnetic excitation located at wave vectors (1/2???1/2?? ?L) in tetragonal notation. On cooling below TC, a clear resonance peak is observed at this wave vector with an energy of 8.6(0.5) meV, corresponding to 4.5(0.3) kBTC. This is in good agreement with the canonical value of 5 kBTC observed in the cuprates. The spectrum shows strong dispersion in the tetragonal plane but very weak dispersion along the c axis, indicating that the magnetic fluctuations are two dimensional in nature. This is in sharp contrast to the anisotropic three dimensional spin excitations seen in the undoped parent compounds

162 citations


Journal ArticleDOI
03 Nov 2009
TL;DR: In this paper, a survey of relaxor-PT-based ferroelectric single crystal systems with respect to their temperature usage range is presented, and general trends of dielectric and piezoelectric properties are discussed in relation to their respective TC/TRT.
Abstract: Relaxor-PT based ferroelectric single crystals Pb(Zn1/3Nb2/3)O3-PbTiO3 (PZNT) and Pb(Mg1/3Nb2/3)O3-PbTiO3 (PMNT) offer high performance with ultra-high electromechanical coupling factors k33s > 0.9 and piezoelectric coefficients d33s > 1500 pC/N. However, the usage temperature range of these perovskite single crystals is limited by TRT-the rhombohedral to tetragonal phase transition temperature, which occurs at significantly lower temperatures than the Curie temperature TC, a consequence of curved morphotropic phase boundaries (MPBs). Furthermore, these 〈001〉-oriented crystals exhibit low mechanical quality Q and coercive fields, restricting their usage in high-power applications. In this survey, recent developments on binary and ternary perovskite relaxor-PT crystal systems are reviewed with respect to their temperature usage range. General trends of dielectric and piezoelectric properties of relaxor-PT crystal systems are discussed in relation to their respective TC/TRT. In addition, two approaches have been implemented to improve mechanical Q, including acceptor dopants, analogous to hard polycrystalline ceramics, and anisotropic domain engineering, enabling lowloss crystals with high coupling for high-power applications.

158 citations


Journal ArticleDOI
TL;DR: The photoluminescent analyses suggest that there is an efficient ligand-to-Ln(III) energy transfer for compounds 1-3 and H(4)PTC4A is a more efficient "antenna" than H( 4)TC4B.
Abstract: This paper reports the syntheses, crystal structures, and luminescent and magnetic properties of four tetranuclear TbIII (1 and 3) and DyIII (2 and 4) complexes supported by p-phenylthiacalix[4]arene (H4PTC4A) and p-tert-butylthiacalix[4]arene (H4TC4A). All four frameworks can be formulated as [LnIII4(PTC4A/TC4A)2(μ4-OH)Cl3(CH3OH)2(H2O)3], and some methanol and water solvent molecules are occupied in the interstices. The compounds are featured with a sandwichlike unit constructed by two tail-to-tail calixarene molecules and a planar tetragonal (μ4-OH)Ln4 cluster. The photoluminescent analyses suggest that there is an efficient ligand-to-LnIII energy transfer for compounds 1−3 and H4PTC4A is a more efficient “antenna” than H4TC4A. The DyIII compounds exhibit slow magnetic relaxation behavior of single-molecule magnet nature. The substitution of the t-Bu group with a phenyl group at the up-rim of thiacalix[4]arene leads to different extended structures and physical properties of as-synthesized compounds.

Journal ArticleDOI
TL;DR: In this article, a series of controlled experiments indicate that the pH values in the initial solution, phosphorus sources, and the organic additive trisodium citrate (Cit3−) are responsible for crystal phase and shape determination of final products.
Abstract: YPO4 nano/microcrystals with multiform crystal phases and morphologies, such as hexagonal nano/submicroprisms, spherical-like nanoparticles, and nanorods with different length/diameter ratios as well as tetragonal nanospindles, have been synthesized via a facile hydrothermal route. A series of controlled experiments indicate that the pH values in the initial solution, phosphorus sources, and the organic additive trisodium citrate (Cit3−) are responsible for crystal phase and shape determination of final products. It is found that Cit3− as a ligand and shape modifier has the dynamic effect by adjusting the growth rate of different facets under different experimental conditions, resulting in the formation of various geometries of the final products. The possible formation mechanisms for products with diverse architectures have been presented. More importantly, a systematic study on the photoluminescence of Ln3+ (Ln = Tb, Eu, Dy) and V5+ ion-doped samples annealed at 500 °C has been explored in order to obta...

Journal ArticleDOI
TL;DR: This study represents the first example of a high-pressure single-crystal X-ray diffraction analysis of a metal-organic framework.
Abstract: The pressure-dependent structural evolution of a neutral zinc-imidazolate framework [Zn(2)(C(3)H(3)N(2))(4)](n) (ZnIm) has been investigated The as-synthesized three-dimensional ZnIm network (alpha-phase) crystallizes in the tetragonal space group I4(1)cd (a = 235028(4) A, c = 124607(3) A) The ZnIm crystal undergoes a phase transition to a previously unknown beta-phase within the 0543(5)-0847(5) GPa pressure range The tetragonal crystal system is conserved during this transformation, and the beta-phase space group is I4(1) (a = 227482(3) A, c = 130168(3) A) The physical mechanism by which the transition occurs involves a complex cooperative bond rearrangement process The room-temperature bulk modulus for ZnIm is estimated to be approximately 14 GPa This study represents the first example of a high-pressure single-crystal X-ray diffraction analysis of a metal-organic framework

Journal ArticleDOI
TL;DR: In this paper, the authors identify the phase lines corresponding to transitions among the ambient-pressure paramagnetic tetragonal (T), the antiferromagnetic orthorhombic (O), and the nonmagnetic collapsed tetragon (cT) phases of a single-crystal neutron and high-energy x-ray diffraction.
Abstract: Single-crystal neutron and high-energy x-ray diffraction measurements have identified the phase lines corresponding to transitions among the ambient-pressure paramagnetic tetragonal (T), the antiferromagnetic orthorhombic (O), and the nonmagnetic collapsed tetragonal (cT) phases of ${\text{CaFe}}_{2}{\text{As}}_{2}$. We find no evidence of additional structures for pressures of up to 2.5 GPa (at 300 K). Both the T-cT and O-cT transitions exhibit significant hysteresis effects, and we demonstrate that coexistence of the O and cT phases can occur if a nonhydrostatic component of pressure is present. Measurements of the magnetic diffraction peaks show no change in the magnetic structure or ordered moment as a function of pressure in the O phase, and we find no evidence of magnetic ordering in the cT phase. Band-structure calculations show that the transition into the cT phase results in a strong decrease in the iron $3d$ density of states at the Fermi energy, consistent with a loss of the magnetic moment.

Journal ArticleDOI
TL;DR: This simple functional describes the elastic interaction of weakly deformable bodies and, therefore, it is a reliable physical model of soft macromolecules, like star polymers and globular micelles.
Abstract: We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law with exponent 5/2, vanishing at the overlapping threshold. This simple functional describes the elastic interaction of weakly deformable bodies and, therefore, it is a reliable physical model of soft macromolecules, like star polymers and globular micelles. Using thermodynamic integration and extensive Monte Carlo simulations, we computed accurate free energies of the fluid phase and a large number of crystal structures. For this, we defined a general primitive unit cell that allows for the simulation of any lattice. We found multiple re-entrant melting and first-order transitions between crystals with cubic, trigonal, tetragonal, and hexagonal symmetries.

Journal ArticleDOI
TL;DR: In this article, a single crystal neutron diffraction study was carried out to determine the magnetic structure of EuFe2As2 and investigate the coupling of two magnetic sublattices.
Abstract: Among various parent compounds of iron pnictide superconductors, EuFe2As2 stands out due to the presence of both spin density wave of Fe and antiferromagnetic ordering (AFM) of the localized Eu2+ moment. Single crystal neutron diffraction studies have been carried out to determine the magnetic structure of this compound and to investigate the coupling of two magnetic sublattices. Long range AFM ordering of Fe and Eu spins was observed below 190 K and 19 K, respectively. The ordering of Fe2+ moments is associated with the wave vector k = (1,0,1) and it takes place at the same temperature as the tetragonal to orthorhombic structural phase transition, which indicates the strong coupling between structural and magnetic components. The ordering of Eu moment is associated with the wave vector k = (0,0,1). While both Fe and Eu spins are aligned along the long a axis as experimentally determined, our studies suggest a weak coupling between the Fe and Eu magnetism.

Journal ArticleDOI
TL;DR: The correlation between structural distortion and superconductivity in FeSe(1-x) thin films with different preferred growth orientations is reported, suggesting that the low temperature structural distortion is closely associated with thesuperconductivity of this material.
Abstract: Superconductivity was recently found in the tetragonal phase FeSe. A structural transformation from tetragonal to orthorhombic (or monoclinic, depending on point of view) was observed at low temperature, but was not accompanied by a magnetic ordering as commonly occurs in the parent compounds of FeAs-based superconductors. Here, we report the correlation between structural distortion and superconductivity in ${\mathrm{FeSe}}_{1\ensuremath{-}x}$ thin films with different preferred growth orientations. The films with preferred growth along the $c$ axis show a strong thickness dependent suppression of superconductivity and low temperature structural distortion. In contrast, both properties are less affected in the films with (101) preferred orientation. These results suggest that the low temperature structural distortion is closely associated with the superconductivity of this material.

Journal ArticleDOI
TL;DR: In this article, the crystal structures of three polymorphs of Ca(BH4)2, and related phase transitions, have been identified, and variation of the cell parameters, and weight fraction are reported for the three phases as a function of temperature.

Journal ArticleDOI
TL;DR: In this article, the relationship between the crystal structure, charge doping and magnetism in AFe2As2 systems was analyzed using first-principle band structure calculations, and the tetragonal to orthorhombic structural distortion along with the associated magnetic order and anisotropy, the influence of doping on the A site and the Fe site were analyzed.
Abstract: The electronic structure and physical properties of the pnictide compound families REOFeAs (RE = La, Ce, Pr, Nd, Sm), AFe2As2 (A = Ca, Sr, Ba, Eu), LiFeAs and FeSe are quite similar. Here, we focus on the members of the AFe2As2 family whose sample composition, quality and single-crystal growth are more controllable compared with the other systems. Using first-principles band structure calculations, we focus on understanding the relationship between the crystal structure, charge doping and magnetism in AFe2As2 systems. We will elaborate on the tetragonal to orthorhombic structural distortion along with the associated magnetic order and anisotropy, the influence of doping on the A site and the Fe site and the changes in the electronic structure as a function of pressure. Experimentally, we investigate the substitution of Fe in SrFe2 xTMxAs2 by other 3d transition metals, TM = Mn, Co or Ni. In contrast to a partial substitution of Fe by Co or Ni (electron doping), a corresponding Mn partial substitution does not lead to the suppression of the antiferromagnetic order or the appearance of superconductivity. Most of the calculated properties agree well with the measured properties, but several of them are sensitive to the As z position. For a microscopic understanding of the electronic structure of this new family of superconductors, this structural feature related to the Fe-As interaction is crucial, but its correct ab initio treatment still remains an open question.

Journal ArticleDOI
01 Apr 2009-EPL
TL;DR: In this paper, the structural and superconducting properties of β-FeSe under pressure up to 26 GPa were studied using synchrotron radiation and diamond anvil cells.
Abstract: We have studied the structural and superconducting properties of β–FeSe under pressures up to 26 GPa using synchrotron radiation and diamond anvil cells. The bulk modulus of the tetragonal phase is 28.5(3) GPa, much smaller than the rest of Fe based superconductors. At 12 GPa we observe a phase transition from the tetragonal to an orthorhombic symmetry. The high-pressure orthorhombic phase has a higher Tc reaching 34 K at 22 GPa.

Journal ArticleDOI
TL;DR: In this article, the phase transition temperatures and the dielectric, ferroelectric, and piezoelectric properties of bismuth perovskite lead-free BKT-based solid solutions have been reviewed.
Abstract: The phase transition temperatures and the dielectric, ferroelectric, and piezoelectric properties of bismuth perovskite lead-free ferroelectric ceramics such as (Bi1/2Na1/2)TiO3 (BNT)- and (Bi1/2Na1/2)TiO3 (BKT)-based solid solutions have been reviewed According to the results obtained by our group, these ceramics can be considered as superior lead-free piezoelectric materials for reducing environmental damage Perovskite-type ceramics appear to be suitable for actuator and high-power applications that require a large piezoelectric constant d33 and a high Curie temperature TC or a high depolarization temperature Td (> 200degC) In this paper, we summarize the relationship between phase transition temperatures and piezoelectric properties In the case of the BNT-based solid solutions, the highest piezoelectric properties were obtained at the morphotropic phase boundary (MPB) between rhombohedral and tetragonal phases However, d33 and Td were shown to have a tradeoff relationship Considering the high Td and high d33, the tetragonal side of the MPB composition is suitable for piezoelectric actuator application Meanwhile, the Qm values on the rhombohedral side of the MPB composition were better than those on the tetragonal side, and excellent high-power characteristics were obtained for Mn-doped BNT-(Bi1/2Na1/2)TiO3-BKT ternary systems with rhombohedral symmetry BKT ceramics were prepared by the hot-pressing (HP) method, and their ferroelectric and piezoelectric properties were clarified BKT ceramics doped with a small amount of Bi have a relatively high remanent polarization of Pr = 276 muC/cm2 and high piezoelectric properties (k33 = 040 and d33 = 101 pC/N) In addition, it was clarified that BKT ceramics have a high Td of approximately 300degC The solid solution (1-x)BKT-xBaTiO3 (BKT-BT100x) exhibited a high Td of approximately 300degC at x > 04

Journal ArticleDOI
TL;DR: In this article, the polycrystalline samples of BaTi1−xMnxO3 (BMT) ferroelectric ceramics with x=0, 004, 007, 010 have been prepared using a solid-state reaction technique.

Journal ArticleDOI
TL;DR: In this paper, two bands centered at 350 and 470 nm were observed in tetragonal ZrO2 and the electrons trapped by oxygen vacancies creating F centers recombined with holes yielding the 350 nm luminescence.
Abstract: Nanocrystalline ZrO2 fine powders were prepared via the one-pot reaction followed by annealing from 700 to 1100 °C in air. It is believed that generation of excess oxygen vacancies within nanocrystalline ZrO2 is primarily responsible for room-temperature tetragonal phase stabilization below a critical size, and the phase transformation from tetragonal to monoclinic ZrO2 happened in the annealing process. Luminescent properties of ZrO2 were greatly affected by oxygen vacancies in the phase transition process. Two bands centered at 350 and 470 nm were observed in tetragonal ZrO2. The electrons trapped by oxygen vacancies creating F centers recombined with holes yielding the 350 nm luminescence. Temporal decay of the 470 nm luminescence is due to the detrapping of electrons to the Ti3+ luminescence centers. Elevated temperature accelerated the phase transformation to monoclinic ZrO2 and decreased the oxygen vacancy concentration, resulting in a decrease of the 350 nm emission and enhancement of the 470 nm ph...

Journal ArticleDOI
TL;DR: This paper reports the first systematical synthesis of near-monodisperse potassium and lithium rare earth (RE) fluoride (K(Li)REF4) nanocrystals with diverse shapes via co-thermolysis of Li(CF 3COO) or K(CF3COO), and the ease of doping of these as-synthesized host nanocry crystals for designed luminescence properties is assessed.
Abstract: This paper reports the first systematical synthesis of near-monodisperse potassium and lithium rare earth (RE) fluoride (K(Li)REF4) nanocrystals with diverse shapes (cubic KLaF4 and KCeF4 wormlike nanowires, nanocubes and nanopolyhedra; cubic LiREF4 (RE = Pr to Gd, Y) nanopolyhedra; tetragonal LiREF4 (RE = Tb to Lu, Y) rhombic nanoplates) via co-thermolysis of Li(CF3COO) or K(CF3COO) and RE(CF3COO)3 in a hot oleic acid/oleylamine/1-octadecene solution. The effects of the solvent composition, reaction temperature and time on the crystal phase purity, shape, and size of the as-prepared nanocrystals have been investigated in detail. The formation of monodisperse nanocrystals is found to strongly depend upon the nature of both alkali metals from Li to K, and the rare earth series from La to Lu and Y. Based on the series of experimental results, a controlled-growth mechanism has also been proposed. In addition, the ease of doping of these as-synthesized host nanocrystals for designed luminescence properties is assessed. For example, monodisperse and single-crystalline Eu3+ doped KGdF4, Yb3+ and Er3+ co-doped LiYF4 nanocrystals redispersed in cyclohexane exhibit visible room-temperature red and green emissions under ultraviolet (UV) excitation and near infrared (NIR) 980 nm laser excitation, respectively.

Journal ArticleDOI
TL;DR: In this article, the authors review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As, P)(O, F) (R = La, Ce. Pr, Nd), (Ba,Sr, Ca)Fe2As2, and Fe1+x(Te-Se) systems.
Abstract: We review neutron scattering investigations of the crystal structures, magnetic structures, and spin dynamics of the iron-based RFe(As, P)(O, F) (R = La, Ce. Pr, Nd), (Ba,Sr,Ca)Fe2As2, and Fe1+x(Te-Se) systems. On cooling from room temperature all the undoped materials exhibit universal behavior, where a tetragonal-to-orthorhombic/monoclinic structural transition Occurs, below which the systems become antiferromagnets. For the first two classes of materials the magnetic structure within the a-b plane consists of chains of parallel Fe spins that are coupled antiferromagnetically in the orthogonal direction, with an ordered moment typically less than one Bohr magneton. Hence these are itinerant electron magnets, with a spin structure that is consistent with Fermi-surface nesting and a very energetic spin wave bandwidth similar to 0.2 eV. With doping, the structural and magnetic transitions are suppressed in favor of superconductivity, with Superconducting transition temperatures up to approximate to 55 K. Magnetic correlations are observed in the Superconducting regime, With a Magnetic resonance that follows the Superconducting order parameter just like the cuprates. The rare earth moments order antiferromagnetically at low T like 'conventional' Magnetic Superconductors, while the Cc crystal field linewidths are affected when superconductivity sets in. The application of pressure in CaFe2As2 transforms the system from a magnetically ordered orthorhombic material to a 'collapsed' non-magnetic tetragonal system. Tetragonal Fe1+xTe transforms to a low T monoclinic structure at small x that changes to orthorhombic at larger x, which is accompanied by a crossover from commensurate to incommensurate magnetic order. Se doping Suppresses the magnetic order, while incommensurate magnetic correlations are observed in the superconducting regime. (C) 2009 Elsevier B.V. All rights reserved.

Journal ArticleDOI
TL;DR: In this article, the relationship between the crystal structure, charge doping and magnetism in pnictide compound systems was investigated using first-principle band structure calculations, and it was shown that the effect of charge doping on the electronic structure of these systems can be seen as a function of the As $z$ position.
Abstract: The electronic structure and physical properties of the pnictide compound families $RE$OFeAs ($RE$ = La, Ce, Pr, Nd, Sm), $A$Fe$_{2}$As$_{2}$ ($A$ = Ca, Sr, Ba, Eu), LiFeAs and FeSe are quite similar. Here, we focus on the members of the $A$Fe$_{2}$As$_{2}$ family whose sample composition, quality and single crystal growth are better controllable compared to the other systems. Using first principles band structure calculations we focus on understanding the relationship between the crystal structure, charge doping and magnetism in $A$Fe$_{2}$As$_{2}$ systems. We will elaborate on the tetragonal to orthorhombic structural distortion along with the associated magnetic order and anisotropy, influence of doping on the $A$ site as well as on the Fe site, and the changes in the electronic structure as a function of pressure. Experimentally, we investigate the substitution of Fe in SrFe$_{2-x}TM_{x}$As$_{2}$ by other 3$d$ transition metals, $TM$ = Mn, Co, Ni. In contrast to a partial substitution of Fe by Co or Ni (electron doping) a corresponding Mn partial substitution does not lead to the supression of the antiferromagnetic order or the appearance of superconductivity. Most calculated properties agree well with the measured properties, but several of them are sensitive to the As $z$ position. For a microscopic understanding of the electronic structure of this new family of superconductors this structural feature related to the Fe-As interplay is crucial, but its correct ab initio treatment still remains an open question.

Journal ArticleDOI
TL;DR: In this paper, Li and Ta-modified lead-free piezoelectric ceramics prepared by normal sintering were investigated with an emphasis on the influence of sinting temperature.
Abstract: Microstructure characteristics, phase transition, and electrical properties of (Na 0 . 535 K 0 . 485 ) 0 . 926 Li 0 . 074 (Nb 0 . 942 Ta 0 . 058 )O 3 (NKN-LT) lead-free piezoelectric ceramics prepared by normal sintering are investigated with an emphasis on the influence of sintering temperature. Some abnormal coarse grains of 20-30 μm in diameter are formed in a matrix consisting of about 2 μm fine grains when the sintering temperature was relatively low (980°C). However, only normally grown grains were observed when the sintering temperature was increased to 1020°C. On the other hand, orthorhombic and tetragonal phases coexisted in the ceramics sintered at 980°-1000°C, whereas the tetragonal phase becomes dominant when sintered above 1020°C. For the ceramics sintered at 1000°C, the piezoelectric constant d 33 is enhanced to 276 pC/N, which is a high value for the Li-and Ta-modified (Na,K)Nb0 3 ceramics system. The other piezoelectric and ferroelectric properties are as follows: planar electromechanical coupling factor k p = 46.2%, thickness electromechanical coupling factor k t = 36%, mechanical quality factor Q m = 18, remnant polarization P r = 21.1 μC/cm 2 , and coercive field E c = 1.85 kV/mm.

Journal ArticleDOI
TL;DR: In this article, the synthesis of superconducting single crystals of FeSe and their characterization by x-ray diffraction, magnetization and resistivity were reported, showing that the tetragonal PbO structure undergoes a structural transition to a hexagonal structure.
Abstract: We report on the synthesis of superconducting single crystals of FeSe and their characterization by x-ray diffraction, magnetization and resistivity. We have performed ac susceptibility measurements under high pressure in a hydrostatic liquid argon medium up to 14 GPa and we find that TC increases up to 33–36 K in all samples, but with slightly different pressure dependences on different samples. Above 12 GPa no traces of superconductivity are found in any sample. We have also performed a room temperature high pressure x-ray diffraction study up to 12 GPa on a powder sample, and we find that, between 8.5 and 12 GPa, the tetragonal PbO structure undergoes a structural transition to a hexagonal structure. This transition results in a volume decrease of about 16% and is accompanied by the appearance of an intermediate, probably orthorhombic, phase.

Journal ArticleDOI
TL;DR: In this paper, the structural and superconducting properties of tetragonal FeSe under pressure up to 26GPa were studied using synchrotron radiation and diamond anvil cells.
Abstract: We have studied the structural and superconducting properties of tetragonal FeSe under pressures up to 26GPa using synchrotron radiation and diamond anvil cells. The bulk modulus of the tetragonal phase is 28.5(3)GPa, much smaller than the rest of Fe based superconductors. At 12GPa we observe a phase transition from the tetragonal to an orthorhombic symmetry. The high pressure orthorhombic phase has a higher Tc reaching 34K at 22GPa.

Journal ArticleDOI
TL;DR: Using combined resonance and ultrasonic methods, a full set of material constants has been measured for morphotropic phase boundary (MPB) composition xPb(In1/2Nb 1/2)O3-pbTiO3 (PIN-PMN-PT) as mentioned in this paper.
Abstract: Using combined resonance and ultrasonic methods, a full set of material constants has been measured for morphotropic phase boundary (MPB) composition xPb(In1/2Nb1/2)O3–(1−x−y)Pb(Mg1/3Nb2/3)O3–yPbTiO3 (PIN-PMN-PT) single crystals poled along [001]c. Compared with the MPB composition (1−x)Pb(Mg1/3Nb2/3)O3–xPbTiO3 (PMN-PT) single crystals, the PIN-PMN-PT single crystals have smaller anisotropy, higher Curie temperature (Tc≈197 °C), and higher rhombohedral to tetragonal phase transition temperature (TR-T≈96 °C). The electromechanical properties obtained here are the best found so far for this ternary system with d33≈2742 pC/N, d31≈−1337 pC/N, k33≈95%, and k31≈65%.