X-ray investigation and discussion of the magnetostriction of Gd3T(T= Ni, Rh, Irx) single crystals

The variations of the lattice parameters of Gd3T(T= Ni, Rh, Irx) single crystals with temperature were measured in the range 10–300 K. The compounds with Ni and Rh crystallize in the orthorhombic space groupPnma, but the compound with Ir crystallizes as Gd5Ir2in the monoclinic space groupA2/a. The three compounds exhibit an anomalous anisotropic spontaneous magnetostriction below the magnetic ordering temperature.

Structural modulations and phase transitions in β-eucryptite: an in-situ TEM study

Beta-eucryptite as grown by the flux method has been investigated by in-situ cold- and hot-stage transmission electron microscopy (TEM). Using electron diffraction and dark-field TEM imaging, we found no evidence for the merohedral twinning that accompanies structural collapse at the β-to-α-quartz transition, suggesting a true hexagonal symmetry for the aluminosilicate framework of β-eucryptite. Selected-area electron diffraction (SAED) patterns exhibited a variety of incommensurate structures along the three a axes with an average modulation period of about 6.5 a. These modulated structures arise from superperiodic stacking parallel to (100) of two structural units with different Li config…

Competition between surface reaction and diffusion of gold deposited onto ZrTe3

Abstract Surface reaction and diffusion of gold, deposited onto the (0 0 1) ZrTe 3 van der Waals (vdW) surface, is studied by transmission electron and scanning tunneling microscopy. It is shown that both processes compete at temperatures as low as room temperature. In case of diffusion the deposited gold mostly disappears from the surface and intercalates into the vdW gaps of the substrate. Residual unreacted gold agglomerates are rather mobile and are often displaced by the scanning tip along the [1 0 0] direction of the substrate. In case of reaction, which usually takes place at somewhat higher substrate temperatures, grains of Zr 3 Te 2 , AuTe 2 and/or Au 2 Te 3 are formed. Contrary to…

Magnetic properties of the TbMn2 single crystals

Abstract Single crystals of TbMn 2 were grown by the Czochralski method from a levitated melt. Results of electrical resistivity, magnetization in strong magnetic fields along the principal crystallographic directions, AC and DC magnetic susceptibility and the temperature dependence of the lattice parameter are presented.

In situ study of the phase transition in Bi2Ti4O11

Abstract The paraelectric ⇌ antiferroelectric phase transition of the compound Bi 2 Ti 4 O 11 is studied in situ by electron diffraction and electron microscopy. The transition is reversible and clearly second order. Above T c faint streaking at the superlattice positions persists. In the low-temperature phase, antiphase boundaries with a displacement vector R = 1/2[101] are revealed; they show a finite width, suggesting a gradual displacement of the Bi atoms at the transition. A model for the domain wall configuration is proposed, based on the influence of the lone pairs of Bi 3+ ions at the transition.

Charge density waves in NbSe3: The models and the experimental evidence

a b s t r a c t Charge density wave (CDW) ordering in the prototypical low-dimensional compound NbSe3 is reconsidered. It is shown that the model with two incommensurate modulations, q1 = (0, 0.241, 0) and q2 = (0.5, 0.260, 0.5), localized on type-III and type-I bi-capped trigonal prismatic columns, does not explain details, revealed by various microscopic methods. An alternative explanation, based on the existence of modulated layered nano-domains below both CDW onset temperatures, is suggested. It accounts for the presence of the q2 modulation in the STM images recorded above the T2 CDW transition and for the absence of q2 satellites in the corresponding diffraction patterns. The long per…

X-Ray Crystallographic Analysis of the Charge-Density Wave Modulated Phases in the NbTe4-TaTe4 System

NbTe4 and TaTe4 belong to the important structural family CuAl2 (tl20) characterized by a tetragonal antiprismatic coordination of the minority component. The basic structures were first described by Selte and Kjekshus [1] and Selte and Bjerkelund [2]. In these structures the Te atoms form 1-D infinite columns of stacked tetragonal antiprisms along [001] which are centered by the metal atoms (Figure 1). The arrangement of the antiprismatic columns in the tetragonal a 1 a 2-plane yields short Te-Te contacts, forming Te2 pairs with covalent bonds of about 2.92 A. Thus, following the usual chemical arguments MTe4 (M=Nb,Ta) is a ditelluride of M(IV), i.e. M4+(Te 2 2- )2. The structure is strong…

STM evidence of room-temperature charge instabilities inNbSe3

${\mathrm{NbSe}}_{3}$ is a quasi-low-dimensional compound with unique properties. Two incommensurate charge-density waves appear at low temperatures, which slide under the application of an electric field. The mechanism of sliding is not fully understood and it was speculated that precursor effects may be present above the onset temperatures. Scanning tunneling microscopy offers a unique tool to search for such charge instabilities and clear evidence is given for their existence at room temperature. \textcopyright{} 1996 The American Physical Society.

Structural and Dielectric Properties of (Na0.5Bi0.5)0.70Ba0.30TiO3 Ceramics.

Abstract A (Na0.5Bi0.5)0.70Ba0.30TiO3 ceramic has been studied by X-ray diffraction and by measurements of dielectric and ferroelectric properties between room temperature and 450 °C. A sharp increase in the electric permittivity and dielectric loss near 200 °C has been observed. This sharp increase in dielectric responses indicates a transformation between normal and relaxor ferroelectric states. It is found that polar regions can exist at higher temperatures. The X-ray diffraction study shows that the transformation corresponds to the first order phase transition from tetragonal to cubic. The use of the (Na0.5Bi0.5)0.70Ba0.30TiO3 ceramic for device application has also been indicated.

Anomalies in low-temperature lattice parameters of ErFeO3 and ErAlO3 single crystals: correlation with magnetic properties

Abstract The paper presents the results of an experimental study of thermal expansion of isostructural orthorhombic ErFeO3 and ErAlO3 single crystals. Changes of lattice parameters have been investigated by X-ray measurements in the 10–300 K temperature range. Above ∼150 K, experimental results correspond well to the phonon mechanism. At low temperatures distinct anisotropic anomalies were observed in both compounds; and a correlation with the magnetic properties of the relevant ions is noted.

Enhanced CDW Transitions in Nb3X4(X = S, Se, Te): Intercalation and Surface Effects

A x Nb 3 X 4 (A = In, Tl, ZnHg; X = S, Se, Te) compounds show CDW instabilities dependent on the type and concentration of intercalate. Tl or In intercalation flattens the Fermi surfaces and supports CDW formation. In the corresponding DOS spectrum the Fermi level is shifted towards coincidence with a small peak, derived mainly from the Nb dz 2 orbital. Localized modulated regions observed in STM images of Nb 3 X 4 at room temperature represent precursor effects to full CDW formation.

Structural and electric characteristics of (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics

Abstract (Na0.5Bi0.5)0.50Ba0.50TiO3 and (Na0.5Bi0.5)0.20Ba0.80TiO3 ceramics have been prepared by the solid state reaction and studied by X-ray diffraction and by measurements of dielectric and ferroelectric properties between room temperature and 550 °C. A sharp increase in the electric permittivity and dielectric loss near 212 °C (for the first material) and near 205 °C (for the second material) on heating with remarkable thermal hysteresis have been observed. This sharp increase in dielectric responses indicates transformation between normal and relaxor ferroelectric states. The X-ray diffraction study shows that this transformation corresponds to the first order phase transition from te…

Spontaneous magnetostriction and thermal expansibility of TmFeO3 and LuFeO3 rare earth orthoferrites

Abstract At low temperatures the TmFeO3 orthoferrite shows a strong spontaneous magnetostriction generated by rare earth Tm atoms. This effect essentially depends on the temperature and orientation of the weak ferromagnetism vector of the Fe sublattice and reaches largest values for the directions [1 0 0] and [0 0 1]. The spin reorientation process in TmFeO3 marks itself mainly in the change of the signs of the linear thermal expansion coefficients in the directions mentioned above. Some additional singularities of thermal dependencies of expansion coefficients are observed below 20 K, which may be due to a magnetic compensation effect in the investigated orthoferrite.

X-ray diffraction, optical birefringence, and87Rb nuclear magnetic resonance spectroscopy of the paraelectric and antiferroelectric phases of Rb3DxH1-x(SO4)2

The antiferroelectric (AFE) phase transition of Rb3DxH1-x(SO4)2 was studied using x-ray diffraction, optical birefringence, and nuclear magnetic resonance. The orientation dependence of the resonance lines deduced from the quadrupole-perturbed 87Rb nuclear magnetic resonance of Rb3D(SO4)2 single crystals indicates slight deviations from the monoclinic symmetry in the paraelectric and the AFE phases. The dynamical critical exponents as deduced from measurements of the spin-lattice relaxation times depend on the deuteron concentration. Additionally, we have carried out x-ray single-crystal diffraction as well as optical birefringence measurements and find clear evidence for a structural phase…

The Instability of the NbTe2 Surface Structure

Low energy electron diffraction from clean NbTe 2 surfaces shows very diffuse reflections. The effect is attributed to an anisotropic heating of the irradiated Te-Nb-Te surface layer. Diffraction patterns for electron energies below 90 eV correspond to an overlapped contribution from numerous domains, belonging to three orientational variants. Electrons of higher energies stabilize the parent high-temperature CdI 2 structure. A similar effect is observed during scanning tunneling microscopy, where the expected surface corrugation is usually lost for tunneling currents of a few ten nA.

Crystallographic, electronic structure and magnetic properties of the GdTAl; T=Co, Ni and Cu ternary compounds

Abstract Single phase GdCoAl, GdCuAl and single crystal GdNiAl samples of good quality were synthesized. The electrical resistivity, magnetization and AC susceptibility as a function of temperature revealed in all these compounds a ferromagnetic ordering at 100, 83 and 60 K, respectively. A magnetic transition, probably to a non-colinear structure was observed in GdNiAl at 31 K as well as the presence of the third magnetic transition at 14 K, while in the GdCuAl compound an evidence of similar transition was found at 23 K. In GdNiAl a transition between two different crystallographic phases of ZrNiAl-type was observed at 220 K. The transition was accompanied by rapid jumps of crystal lattic…

Simple modeling of dipolar coupled 7Li spins and stimulated-echo spectroscopy of single-crystalline β-eucryptite

Abstract Stimulated-echo spectroscopy has recently been applied to study the ultra-slow dynamics of nuclear spin-3/2 probes such as 7 Li and 9 Be in solids. Apart from the dominant first-order quadrupolar interaction in the present article also the impact of the homonuclear dipolar interactions is considered in a simple way: the time evolution of a dipole coupled pair of spins with I =3/2 is calculated in an approximation, which takes into account that the satellite transitions usually do not overlap. Explicit analytical expressions describing various aspects of a coupled quadrupolar pair subjected to a Jeener–Broekaert pulse sequence are derived. Extensions to larger spin systems are also …

Alternative model for the structural modulation inNbSe3andm−TaS3

Deformation modes according to irreducible representations

Abstract A method for obtaining distortion fields in a crystal from a given irreducible representation of the underlying space group is described in Ref.[1]. The method is based on projection operators of the group theory, it is graphically oriented and thus calculation free. As an example (Space group P421m)complete sets of representation matrices ara analytically calculated for all irreducible representations which correspond to all wave vectors of the form k= (q, q, 0). Linear independent atomic displacement modes in the (3×3×1) supercell, which are induced by the two irreducible representations with k = (1/3,1/3,0) are explicitly determined: the obtained atomic displacement fields are p…

Mechanisms at structural phase transitions

Abstract Structural phase transitions in crystalline solids are accompanied with the change of symmetry. After EHRENFEST [Ehrenfest, P., Phasenumwandlungen im ublichen und erweiterten Sinn, klassifiziert nach den entsprechenden Singularitaten des thermodynamischen Potentials. Proc. Kon., Amsterdam Acad., 1933, 36(Suppl 75b), 153–157] they can be distinguished between first and second order transitions. Two examples for first and second order transitions will be discussed in order two elaborate the characteristic features. The statements are verified by diffraction experiments; the second order transitions will be discussed on the basis of the LANDAU [Landau, L. and Lifshitz, E.M., Lehrbuch …