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Register a new userAntiferrodistortive Phase Transition in Pseudorhombohedral (Pb0.94Sr0.06)(Zr0.550Ti0.450)O3 : A Combined Synchrotron x-ray and Neutron Powder Diffraction Study
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Added by
Ravindra Singh Solanki
Publication date
2014
fields
Physics
and research's language is
English
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The controversies about the structure of the true ground state of pseudorhombohedral compositions of Pb(ZrxTi1-x)O3 (PZT) are addressed using a 6% Sr2+ substituted sample with x=0.550. Sound velocity measurements reveal a phase transition at Tc~279K. The temperature dependence of FWHM of (h00)pc peaks and the unit cell volume also show anomalies around 279K even though there is no indication of any change of space group in the synchrotron X-ray powder diffraction (SXRD) patterns. The neutron powder diffraction patterns reveal appearance of superlattice peaks below Tc~279K confirming the existence of an antiferrodistortive phase transition. The Rietveld analysis of the room temperature and low temperature SXRD data below Tc shows that the structure corresponds to single monoclinic phase in the Cm space group while the analysis of neutron powder diffraction data reveals that the structure of the ground state phase below Tc corresponds to the Cc space group. Our analysis shows that the structural models for the ground state phase based on R3c space group with or without the coexistence of the room temperature monoclinic phase in the Cm space group can be rejected.
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Lithium doped sodium niobate is an ecofriendly piezoelectric material that exhibits a variety of structural phase transitions with composition and temperature. We have investigated the phase stabilities of an important composition Li0.12Na0.88NbO3 (LNN12) using a combination of powder x-ray and neutron diffraction techniques in the temperature range 300 - 1100 K. Detailed Rietveld analyses of thermo-diffractograms show a variety of structural phase transitions ranging from non-polar antiferrodistortive to ferroelectric in nature. In the temperature range of 525 K to 675 K, unambiguous experimental evidence is shown for phase coexistence of orthorhombic paraelectric O1 phase (space group Cmcm) and orthorhombic ferroelectric O2 phase (space group Pmc21). The bp primitive lattice parameter of the ferroelectric orthorhombic phase (O2 phase) decreases, while the ap and cp primitive lattice parameters show normal increase with increase in temperature. Above 675 K, in the O1 phase, all lattice parameters come close to each other and increase continuously with increase of temperature, and around 925 K, ap parameter approaches bp parameter and thus the sample undergoes an orthorhombic to tetragonal phase transition. Further as temperature increases, the cp lattice parameter decreases, and finally approaches to ap parameter, and the sample transform into the cubic phase. The continuous change in the lattice parameters reveals that the successive phase transformations from orthorhombic O1 to high temperature tetragonal phase and finally to the cubic phase are not of a strong first order type in nature. We argue that application of chemical pressure as a result of Li substitution in NaNbO3 matrix, favours the freezing of zone centre phonons over the zone boundary phonons that are known to freeze in pure NaNbO3 as function of temperature.
Neutron and x-ray diffraction techniques have been used to study the competing long and short-range polar order in the relaxor ferroelectric Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$ (PMN) under a [111] applied electric field. Despite reports of a structural transition from a cubic phase to a rhombohedral phase for fields E $>$ 1.7 kV/cm, we find that the bulk unit cell remains cubic (within a sensitivity of 90$^{circ}$-$alpha$ =0.03$^{circ}$)for fields up to 8 kV/cm. Furthermore, we observe a structural transition confined to the near surface volume or `skin of the crystal where the cubic cell is transformed to a rhombohedral unit cell at T$_{c}$=210 K for E $>$ 4 kV/cm, for which 90$^{circ}$-$alpha$=0.08 $pm$ 0.03$^{circ}$ below 50 K. While the bulk unit cell remains cubic, a suppression of the diffuse scattering and concomitant enhancement of the Bragg peak intensity is observed below T$_{c}$=210 K, indicating a more ordered structure with increasing electric field yet an absence of a long-range ferroelectric ground state in the bulk. The electric field strength has little effect on the diffuse scattering above T$_{c}$, however below T$_{c}$ the diffuse scattering is reduced in intensity and adopts an asymmetric lineshape in reciprocal space. The absence of hysteresis in our neutron measurements (on the bulk) and the presence of two distinct temperature scales suggests that the ground state of PMN is not a frozen glassy phase as suggested by some theories but is better understood in terms of random fields introduced through the presence of structural disorder. Based on these results, we also suggest that PMN represents an extreme example of the two-length scale problem, and that the presence of a distinct skin maybe necessary for a relaxor ground state.
The crystal and magnetic structure of (La0.70Ca0.30)(CryMn1-y)O3 for y = 0.70, 0.50 and 0.15 has been investigated using neutron powder diffraction. The three samples crystallize in the Pnma space group at both 290 K and 5 K and exhibit different magnetic structures at low temperature. In (La0.70Ca0.30)(Cr0.70Mn0.30)O3, antiferromagnetic order with a propagation vector k = 0 sets in. The magnetic structure is Gx, i.e. of the G-type with spins parallel to the a-axis. On the basis of our Rietveld refinement and the available magnetisation data, we speculate that only Cr3+ spins order, whereas Mn4+ act as a random magnetic impurity. In (La0.70Ca0.30)(Cr0.50Mn0.50)O3 the spin order is still of type Gx, although the net magnetic moment is smaller. No evidence for magnetic order of the Mn ions is observed. Finally, in (La0.70Ca0.30)(Cr0.15Mn0.85)O3 a ferromagnetic ordering of the Mn spins takes place, whereas the Cr3+ ions act as random magnetic impurities with randomly oriented spins.
We report the evolution of charge density wave states under pressure for two NbS3 phases triclinic (phase I) and monoclinic (phase II) at room temperature. Raman and X-ray diffraction (XRD) techniques are applied. The x-ray studies on the monoclinic phase under pressure show a compression of the lattice at different rates below and above 7 GPa but without a change in space group symmetry. The Raman spectra of the two phases evolve similarly with pressure; all peaks almost disappear in the 6-8 GPa range, indicating a transition from an insulating to a metallic state, and peaks at new positions appear above 8 GPa. The results suggest suppression of the ambient charge-density waves and their subsequent recovery with new orderings above 8 GPa.
X-ray diffraction, dynamical mechanical analysis and infrared reflectivity studies revealed an antiferrodistortive phase transition in EuTiO3 ceramics. Near 300K the perovskite structure changes from cubic Pm-3m to tetragonal I4/mcm due to antiphase tilting of oxygen octahedra along the c axis (a0a0c- in Glazer notation). The phase transition is analogous to SrTiO3. However, some ceramics as well as single crystals of EuTiO3 show different infrared reflectivity spectra bringing evidence of a different crystal structure. In such samples electron diffraction revealed an incommensurate tetragonal structure with modulation wavevector q ~ 0.38 a*. Extra phonons in samples with modulated structure are activated in the IR spectra due to folding of the Brillouin zone. We propose that defects like Eu3+ and oxygen vacancies strongly influence the temperature of the phase transition to antiferrodistortive phase as well as the tendency to incommensurate modulation in EuTiO3.
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