Size effect in isometric PbTiO3 crystals

The phase transitions Pm3m⇄P4mm and domain-structure formation in 5–500 μm isometric PbTiO₃ crystals were investigated. The phase transition is characterized by a high rate and by the formation of a single flat interphase boundary {023}. A size effect was observed: In crystals smaller than a critical size (about 20 μm), formation of 90° domains stops and, in agreement with a phenomenological theory, the temperature hysteresis of the phase transition doubles. Fiz. Tverd. Tela (St. Petersburg) 40, 1546–1547 (August 1998)     

On surface layers on BaTiO3 single crystals

The possibility of explaining the existence of a surface layer on BaTiO₃ crystals by the presence of Schottky defects in the crystal is investigated. The magnitude of the potential difference between the surface and the interior of the crystal and the thickness of the surface layer, which at temperatures of over 400°C agrees with the measured values, are calculated for the cubic phase from a simplified ionic model.

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BaTiO₃

iO₃ . , 400° .

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In conclusion the author would like to thank Dr. M. Trlifaj and V. Janovec, candidates of physics and mathematics, for valuable remarks.     

Orientation effects on the bandgap and dispersion behavior of 0.91Pb（Zn_（1/3）Nb_（2/3））O_3-0.09PbTiO_3 single crystals

0.91Pb(Zn_1/3Nb_2/3)O₃--0.09PbTiO₃ (PZN--9%PT) single crystals with different orientations are investigated by using a spectroscopic ellipsometer, and the refractive indices and the extinction coefficients are obtained. The Sellmeier dispersion equations for the refractive indices are obtained by the least square fitting, which can be used to calculate the refractive indices in a low absorption wavelength range. Average Sellmeier oscillator parameters E_o, $\lambda$_o, S_o, and E_d are calculated by fitting with the single-term oscillator equation, which are related directly to the electronic energy band structure. The optical energy bandgaps are obtained from the absorption coefficient spectra. Our results show that the optical properties of [001] and [111] poled crystals are very similar, but quite different from those of the [011] poled crystal.     

Field-induced piezoelectric response in Pb(Mg1/3Nb2/3)O3–PbTiO3 single crystals

The electric field induced strain, piezoelectric and electromechanical response in relaxor based single crystal piezoelectrics (1−x)Pb(Mg_1/3Nb_2/3)O₃–xPbTiO₃(PMNT100x) were investigated as a function of dc bias and temperature along the crystallographic [001] orientation. With increasing temperature and dc bias, monoclinic and rhombohedral phases were found to coexist in the crystals, exhibiting large strain hysteresis, while above a threshold temperature and dc bias, the induced monoclinic and tetragonal phases were found to show very low strain hysteresis. The electric field level for the monoclinic to tetragonal phase transformation was found to exponentially decay with temperature. The mechanical quality factor Q for the tetragonal phase exhibits higher values when compared to rhombohedral and monoclinic phases, displaying improved domain stability. The domain stability of tetragonal crystals as a function of sample thickness was also studied, it was found that a higher dc bias was needed for thinner tetragonal crystals in order to stabilize the single domain configuration and reduce the strain hysteresis.     

Anisotropic dynamic response of pentacene single crystals

We have investigated the polarization and momentum dependence of singlet excitons in pentacene molecular crystals using inelastic electron scattering. Our results demonstrate that both the direction as well as the absolute value of the momentum are decisive for the spectral intensity of these excitons. Possible implications of this observation for a microscopic understanding of excitons in organic molecular crystals are discussed.     

On the nature of colour centres in oxygen-deficient BaTiO3 single crystals

A study was made of the conditions under which oxygen non-stoichiometry of BaTiO₃ single crystals is created by their thermal treatment in atmospheres with different partial pressure of oxygen. Two bands with maxima at 0·48 and 0·64 were found in the visible region in the absorption spectrum of crystals deficient in oxygen. An attempt was made to find an interpretation of the structure of non-stoichiometric BaTiO₃ and a model of the appropriate colour centre was proposed for the band with a maximum at 0·64.

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iO₃

BaTiO₃ . 0,48 0,64 . BaTiO₃; 0,64 .

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The authors thank V. Dvoák and V. Janovec from the Institute of Physics, Czechoslovak Academy of Sciences, Dr. A. Bohun from the Institute of Technical Physics, Czechoslovak Academy of Sciences, for very Valuable discussions.     

Intrinsic tunnelling effects in self-doped La0.89MnO3 single crystals

Transport properties of self-doped La_0.89MnO₃ single crystals with Néel temperature of T_N ≈139 K have been investigated in wide temperature range 10–300 K. Data suggests that current at low temperature is conducted through a strongly temperature-dependent, but almost bias independent channel operating in parallel with a bias controlled but temperature independent channel. The first channel is associated with transport across an insulating antiferromagnetic matrix while the latter one represents tunnel conductivity through intrinsic tunnel junctions appearing due to interruption of conducting percolating paths by phase separated insulating inclusions. Tunnel character of the conductivity manifests itself in nonlinear current-voltage characteristics and appearance of a zero-bias anomaly in the form of a prominent conductance peak in the vicinity of zero bias. Zero bias anomaly and V-shaped characteristics of the differential conductance at high voltages are ascribed to the formation of local magnetic states in the insulating region of the tunneling junction.     

Shear localization in dynamic deformation of copper single crystals

Dynamic deformation of copper single crystals, especially of fatigued copper single crystals with different orientations, was conducted on a split-Hopkinson pressure bar apparatus. The strain rates were in the range 2???9?×?10³?s^?1. After dynamic deformation, the adiabatic shear bands (ASBs) were examined in a light microscope and SEM. The width and spacing of ASBs formed under different strain rates in a fatigued copper single crystal were measured and the spacing of ASBs is one-order of magnitude smaller than the theoretical predictions. The possible reasons for the discrepancy were discussed. The critical strains for the ASB formation in four different orientated single crystals at stain rate of about 4?×?10³?s^?1 were determined by examining the post-deformation specimens and dynamic stress–strain curves. It is clearly indicated that the critical strains for the ASB formation are orientation-dependent in copper single crystals. A simple microscopic mechanism for ASB formation in fatigued single crystals was proposed.     

On the preparation of clean tungsten single crystals

The cleaning procedure consists of two-step-flashing: (i) cycles of low power flashes at an oxygen partial pressure of , to remove the carbon from the surface, and (ii) a single high power flash , to remove the oxide layer. The removal of carbon from the surface through the chemical reaction with oxygen during low power flash cycles is monitored by thermal desorption spectroscopy. The exposure to O₂ leads to the oxidation of the W surface. Using a high power flash, the volatile W-oxides and the atomic oxygen are desorbed, leaving a clean crystal surface at the end of procedure. The method may also be used for cleaning other refractory metals like Mo, Re and Ir.     

X-ray analysis of mechanical and thermal effects induced by femtosecond laser treatment of aluminum single crystals

Surface marking of aluminum single crystal is performed with femtosecond laser pulses. X-ray analysis allows to measure thermal and mechanical effects induced by the femtosecond laser pulses. These effects are estimated by comparing the pole figures (crystallinity) and the broadening of the diffraction peaks (mechanical contribution) before and after the laser irradiation. The results show that the femtosecond laser treatment ensures a re-crystallization of the structure and the presence of mechanical residual stresses. The analysis of the pole figures provides the sign of a re-crystallization on smaller volumes compared to initial ones. After the laser irradiation, the crystallization is perfectly oriented like the (1 1 0) orientation of the massive sample. Moreover, following the laser treatment, we show that the crystallographic structure is purer than the initial one. We also prove that the laser effect is persistent on a typical scale of 10 μm beyond the surface.     

On the mechanical properties of C60 fullerite crystals

First experimental data on the plasticity, strength and microhardness of C₆₀ fullerite crystals are reported. It is concluded that the mechanical properties of the crystals studied are isotropic, and the values of their breaking point are low. The obtained results are compared with those for other materials (graphite, indium etc.).     

On the dependence of the coercive field of BaTiO3 single crystals on their thickness

The paper gives the results of measuring the coercive field of single-domain single crystals of BaTiO₃, the thickness of which was lowered by successive etching. The initial decrease in the thicknessd is accompanied by a sudden increase in the coercive fieldE _c (E _c /d –1·5 × × 10⁵ V/cm²); after etching off layers larger than 10^–3 ÷ 2×10^–3cm the coercive field grows much more slowly (E _c /d –7×10³ V/cm²). The high initial growth ofE _c is interpreted by means of Schottky exhaustion layers with non-zero gradient of the electric potential.In conclusion, the authors would like to thank H. Arend, P. Coufová and J. Jarý for providing high-quality single crystals and for much valuable advice during the work and V. Dvoák and K. Pátek for remarks on this paper.     

Polarization effects on the surface chemistry of PbTiO3-supported Pt films

To demonstrate a new paradigm of dynamical control of surface structure and reactivity, we perform density functional theory calculations of the adsorption of several molecules and atoms to the surface of ultrathin Pt(100) films supported on ferroelectric PbTiO3. We show that reorienting the polarization direction of the substrate can dramatically change the chemisorption energies of CO, O, C, and N and alter the reaction pathways for dissociation of CO, O2, N2, and NO. We discuss the structural and electronic effects of a polarized substrate on the metal surface, and we suggest potential applications in tunable catalysis.