Low-temperature phase transition in Ba2TiGe2O8

Previous work on Ba₂TiGe₂O₈ crystals has shown an unusual low-temperature (～ 223 K on cooling, ～ 273 K on heating) phase transition. Precession x-ray photographs on Ba₂TiGe₂O₈ single crystals show an incommensurate modulation along b*, and, for the first time, also along a*. Single crystal intensity data confirm the average structure in space group Cmm2. There is positional disorder in the pyrogermanate groups, and this is the probable cause for the modulated structure. The low-temperature phase transition is proposed to be a lock-in transition, with the modulation along a* locking in at a value of 1/3. Several properties, as well as other unusual features of the low-temperature phase transition, are discussed in light of the proposed lock-in transition. Domain studies show that the ferroelastic domains are unstable in the low-temperature phase.     

Structural phase transitions in niobium oxide nanocrystals

Niobium oxide nanocrystals were successfully synthesized employing the green synthesis method. Phase formation, microstructure and compositional properties of 1, 4 and 7 days incubation treated samples after calcinations at 450 °C were examined using X-ray diffraction, Raman, photoluminescence (PL), infrared, X-ray photoelectron spectra and transmission electron microscopic characterizations. It was observed that phase formation of Nb₂O₅ nanocrystals was dependent upon the incubation period required to form stable metal oxides. The characteristic results clearly revealed that with increasing incubation and aging, the transformation of cubic, orthorhombic and monoclinic phases were observed. The uniform heating at room temperature (32 °C) and the ligation of niobium atoms due to higher phenolic constituents of utilized rambutan during aging processing plays a vital role in structural phase transitions in niobium oxide nanocrystals. The defects over a period of incubation and the intensities of the PL spectra changing over a period of aging were related to the amount of the defects induced by the phase transition.     

Strain-induced ferroelectric phase transitions in incipient ferroelectric rutile TiO2

Uniaxial strain induced ferroelectric phase transitions in rutile TiO₂ are investigated by first-principles calculations. The calculated results show that the in-plane tensile strain induces rutile TiO₂, paraelectric phase with P_4-2/mnm (D_4h) space group, to a ferroelectric phase with P_m (C_s) space group,driven by the softening behaviour of the E_u1 mode. In addition, the out-of-plane tensile strain, vertical to the ab plane, leads to a ferroelectric phase with P_42nm (C_4v) space group, driven by the softening behaviour of the A_2u mode. The critical tensile strains are 3.7% in-plane and 4.0% out-of-plane, respectively. In addition, the in-plane compression strain, which has the same structure variation as out-of-plane tensile strain due to Poisson effect, leads the paraelectric rutile TiO₂ to a paraelectric phase with P_nnm (D_2h) space group driven by the softening behaviour of the B_1g mode. These results indicate that the sequence ferroelectric (or paraelectric) phase depends on the strain applied. The origin of ferroelectric stabilization in rutile TiO₂ is also discussed briefly in terms of strain induced Born effective charge transfer.     

On the structural phase transitions in the incommensurate Cs2CdBr4

Abstract

In the series of incommensurate A₂BX₄ halides with the β-K₂SO₄ type structure, Cs₂CdBr₄ exhibits an unusual behaviour since the “lock-in” phase transition occurs at the centre of the Brillouin zone. The observed phase sequence is the following: Pnma (Z = 4)?INC(k₀ ≈ 1/6a*)?P2_1/n(Z = 4)?P1 (Z = 4). These phase transitions have been studied by means of Raman scattering and ultrasonic measurements. It is shown that the Pnma?INC?P2_1/n sequence is governed by order-disorder processes due to CdB2-₄ tetrahedra reorientations coupled with translations of the Cs⁺ cations, and that the low-temperature P2_1/n?P1 transition is of a displacive nature, governed by a soft optical mode. The “pseudo-proper” ferroelastic character of these transformations is clearly established. A model potential developed in the framework of Landau theory is proposed; this model is able to reproduce the general trends observed in the temperature dependence of the soft-modes and of the elastic constants in the different phases.     

Optical study of the phase transitions in LiKSO4

The birefringence of LiKSO₄ has been measured over the range 27–700°C. The change in birefringence with heating and cooling is seen to be very different. Observations have been made on domains in (001) and (100) plates near the phase transitions.     

X-ray study on the phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals

The structural phase transitions in triammonium hydrogen disulfate crystals and deuterated crystals below room temperature have been studied by X-ray diffraction. Three phases are observed in the temperature range from 25°C down to — 160°C. The space groups in three different phases are identified as C2/c, P2/n (or Pn), and C2 for (NH₄)₃H(SO₄)₂ and (ND₄)₃D(SO₄)₂ crystals. No isotope effect on the structural phase transitions in these crystals could be detected by these studies. The occurrence of structural phase transitions caused by the reorientation of SO₄ groups and/or the shift of oxygen atoms from the sulfate atom in the SO₄ group are suggested from the diffraction photographs.     

Pressure and photo-induced phase transitions in sulphur investigated by Raman spectroscopy

Abstract

The phase transition of orthorhombic sulphur α-S₈ to a high pressure amorphous sulphur allotrope (a-S) has been investigated by Raman spectroscopy. The conversion is found to be induced by the absorption of laser light and can be discussed in terms of ring opening followed by cis-trans conversion of the dihedral angle of S₈ molecules. Laser energy and transition pressure are correlated due to the pressure tuned red shift of the absorption edge of α-S₈. The amorphous (a-S) phase is observed up to 15 GPa at laser intensities below 30μW/μm² at 514.5 and 488.0 nm. Above this threshold power a-S transforms into a second photo-induced phase (p-S), whose discrete Raman spectrum implies an ordered molecular and crystalline structure. By further increasing pressure crystalline S₆ can be created which is found to be the dominant molecular species at pressures above 10 GPa and low temperatures. A phase diagram in the range T < 300 K and p < 15 GPa is also presented.     

Pressure induced magnetic and semiconductor–metal phase transitions in Cr_2MoO_6

We investigate magnetic ordering and electronic structures of Cr_2MoO_6under hydrostatic pressure. To overcome the band gap problem, the modified Becke and Johnson exchange potential is used to investigate the electronic structures of Cr_2MoO_6. The insulating nature at the experimental crystal structure is produced, with a band gap of 1.04 eV, and the magnetic moment of the Cr atom is 2.50 μB, compared to an experimental value of about 2.47 μB. The calculated results show that an antiferromagnetic inter-bilayer coupling–ferromagnetic intra-bilayer coupling to a ferromagnetic inter-bilayer coupling–antiferromagnetic intra-bilayer coupling phase transition is produced with the pressure increasing. The magnetic phase transition is simultaneously accompanied by a semiconductor–metal phase transition. The magnetic phase transition can be explained by the Mo–O hybridization strength, and ferromagnetic coupling between two Cr atoms can be understood by empty Mo-d bands perturbing the nearest O-p orbital.     

Study of electrical conductivity changes and phase transitions in Co3O4 doped ZrO2

The electrical conductivity of ZrO₂ doped with Co₃O₄ has been measured at various temperatures for different molar ratios. The conductivity increases due to the migration of vacancies created by doping. The conductivity is also found to increase with rise in temperature up to 120°C, and after attaining a maximum the conductivity decreases due to a collapse of the lattice framework. A second rise in conductivity around 460°C in all the compositions confirms the phase transition in ZrO₂ from monoclinic to tetragonal symmetry. X-ray powder diffraction and DTA studies were carried out for confirming the doping effects and the transition in ZrO₂.     

Vortex lattice transitions in YNi2B2C

We have performed extensive small-angle neutron scattering (SANS) diffraction studies of the vortex lattice in single crystal YNi₂B₂C for B‖c. High-resolution SANS, combined with a field-oscillation vortex lattice preparation technique, allows us to separate Bragg scattered intensities from two orthogonal domains and accurately determine the unit cell angle, β. The data suggest that upon increasing field there is a finite transition width where both low- and high-field distorted hexagonal vortex lattice phases, mutually rotated by 45°, coexist. The smooth variation of diffracted intensity from each phase through the transition corresponds to a redistribution of populations between the two types of domains.     

Successive phase transitions in the highly ordered complex perovskite PbLu1/2Nb1/2O3

The structural phase transitions and the electrical behaviour of the complex perovskite PbLu_1/2Nb_1/2O₃ have been investigated using X-ray powder diffraction, dielectric constant measurements, differential scanning calorimetry and measurement of the polarisation as a function of applied electric field. The high-temperature paraelectric phase is highly ordered. A first-order paraelectric-antiferroelectric phase transition occurs at 270°C and an antiferroelectric-ferroelectric phase transition, characterised by dispersion in the curves of dielectric constant as a function of temperature, occurs at ≈ 30°C. The antiferroelectric phase is isostructural with the orthorhombic form of PbYb1/₂Nb1/₂O₃. The low-temperature ferroelectric phase also has an orthorhombic crystal structure.     

Influence of crystal synthesis on the incommensurate phase and lock-in transition of Rb2ZnCl4 crystals

A comparative study of several crystals of Rb₂ZnCl₄, obtained by different crystal growing methods, has allowed us to determine the influence of growth defects on the incommensurate phase and on the lock-in transition of these samples. X-ray diffraction has allowed us to complete previous dielectric measurements realized on the same samples and to relate the crystalline quality to the evolution of the modulation as a function of the temperature. The principal influence of an increasing defect density seems to be a stronger pinning of the modulated phase and this induces a lower lock-in temperature and a wider hysteresis.     

The electronic properties tuned by the phase transition between the semiconducting and metallic phase of monolayer MoS2/WS2

Using first-principles methods, we systematically investigate the electronic properties and atomic mechanism of the monolayer MoS₂/WS₂ homo-junction structure, which contains different phase structures, either the semiconducting hexagonal (H) structure or metallic trigonal (T) structure. Through tuning the size of the lateral homo-junction structure of either MoS₂ or WS₂, it can produce different boundaries which induce different phase transferred styles. More interestingly, the electronic structures of homo-junction structures can also be tuned by changing the size of the armchair and zigzag shapes of nanoribbons. The homo-junction structure of either MoS₂ or WS₂ exhibits alterable band structure and band edge position with the changing of the size. The strong dependence of the band offset on the sizes of the homo-junction monolayer also implicates a possible way of patterning quantum structures with size engineering.     

Pressure effect on the magnetic phase diagram of Hf1-xTaxFe2 alloys

Abstract

The lattice constants of Hf_1-xTa_xFe₂ with C14 structure were measured at room temperature under pressure up to 5 GPa. The magnetic phase diagram obtained as a function of pressure was compared with that obtained as a function of Ta concentration x. It is shown that changes in lattice constants by applying pressure and /or by substituting Ta for Hf affect remarkably the magnetic phase stability, which is consistent qualitatively with a recent theoretical prediction based on the local spin density approximation.     

Hydrostatic pressure study of the structural phase transitions and superconductivity in single crystals of (Ba1−xKx)Fe2As2 (x=0 and 0.45) and CaFe2As2

We studied the effect of hydrostatic pressure (P) on the structural phase transitions and superconductivity in the ternary and pseudo-ternary iron arsenides CaFe₂As₂, BaFe₂As₂, and (Ba_0.55K_0.45)Fe₂As₂, by means of measurements of electrical resistivity (ρ) in the 1.8-300 K temperature (T) range, pressures up to 20 kbar, and magnetic fields up to 9 T. CaFe₂As₂ and BaFe₂As₂ (lightly doped with Sn) display structural phase transitions near 170 and 85 K, respectively, and do not exhibit superconductivity in ambient pressure, while K-doped (Ba_0.55K_0.45)Fe₂As₂ is superconducting for T<30 K. The effect of pressure on BaFe₂As₂ is to shift the onset of the crystallographic transformation down in temperature at the rate of ~−1.04 K/kbar, while shifting the whole ρ(T) curves downward, whereas its effect on superconducting (Ba_0.55K_0.45)Fe₂As₂ is to shift the onset of superconductivity to lower temperatures at the rate of ~−0.21 K/kbar. The effect of pressure on CaFe₂As₂ is first to suppress the crystallographic transformation and induce superconductivity with onset near 12 K very rapidly, i.e., for P<5 kbar. However, higher pressures bring about another phase transformation characterized by reduced-resistivity, and the suppression of superconductivity, confining superconductivity to a narrow pressure dome centered near 5 kbar. Upper critical field (H_c2) data in (Ba_0.55K_0.45)Fe₂As₂ and CaFe₂As₂ are discussed.     

Simultaneous recording of two- and four-probe resistive transitions in laser-processed Sr-Ru-O

To confirm previously reported evidence of high-temperature superconductivity in laser processed Sr-Ru-O, we performed simultaneous two-probe and four-probe resistive measurements, using bar-geometry samples. A superconducting-type transition with an onset at about 250K was recorded in one of the samples, consistent with our previously reported measurements in the X-bridge geometry. Some new data on samples preparation are also presented.     

A CCD based detector for quick detection of pressure induced phase transitions

Abstract

A high sensitivity CCD based two dimensional angle dispersive X-ray are a detector has been developed for quick detection of pressure induced phase transitions for a laboratory X-ray source such as a rotating anode generator. The performance of this detector was tested by successfully carrying out powder X-ray diffraction measurements on element Pd, intermetallics AuIn², AuGa² and low Z scatterer adamantane (C₁₀H_l6) at ambient conditions. Its utility for quick detection of phase transitions at high pressures with diamond anvil cell (DAC) is demonstrated by reproducing the known pressure induced structural phase transitions in RbI and KI. The importance of this detector system in search of unknown phase transitions has been established by observing new structural phase transitions in In_0.25Sn_0.75 and AuGa₂. Various softwares have also been developed such as interactive location of centre of diffraction rings, radial integration and image enhancement to analyze data from this detector.     

Pressure- and photo-induced phase transition in mixed-valence gold complexes

The pressure- and photo-induced phase transition in mixed-valence gold complexes of Cs₂Au₂X₆ (X = Cl, Br, and I) has been investigated by means of the Raman scattering. The Raman-active Au-X stretching modes were deactivated by the pressure, which indicates a pressure-induced phase transition from the mixed-valence (MV) state to the single-valence (SV) state. The electronic phase diagrams of Cs₂Au₂X₆ (X = Cl and Br) as a function of pressure and temperature have been derived. A photoinduced phase transition from the MV state to the SV state has been found for Cs₂Au₂Br₆. The observed time behavior accompanying this phase transition is successfully interpreted by the Avrami model, indicating the three-dimensional character of the MV cluster growth.     

X-ray study of the low-temperature phase transition in K2CoCl4

Precise lattice parameter measurements and intensity measurements of selected main and satellite reflections of K₂CoCl₄ have been performed in the temperature range 100 to 300 K in the vicinity of the low-temperature phase transition (commensurate-commensurate phase transition, T _c = 142 K). A broadening of the FWHM for the h01 reflections was observed below 142 K which suggests a transition from an orthorhombic phase to a monoclinic phase.