Universal structural phase transition in network glasses

Raman and Mössbauer spectroscopy provide evidence for a transition from a molecular cluster network at x=0 to a continuous network at x=0.35 in Ge_1?xSn_xSe₂ alloy glasses. The nature of this morphological transition involves a reformation of molecular cluster surfaces in the heterogeneous phase to yield a homogeneous phase. The transition is believed to be a universal property of the easy glass formers and can be effected in one of several ways.     

High pressure phase transition in PbSnTe

The high pressure structural phase transition in the alloy series Pb_{1 ? x}Sn_xTe has been investigated using resistivity and Hall coefficient measurements. With increasing of tin content the critical pressure decreases linearly and the phase transition becomes less drastic. The anomalous behavior of the resistivity in the phase transition region is explained by band structure changes. It is suggested that the high pressure phase transition in Pb_{1 ? x}Sn_xTe is a metallic-covalent transition.     

Order-disorder phase transition in Ni4W alloy

The order-disorder phase transition in Ni₄W alloy with a D1 _a superlattice was studied experimentally by x-ray structural analysis and theoretically by the Green function method. An experimental temperature dependence was obtained for the equilibrium parameter of long-range order for Ni₄W alloy. It was established that the order-disorder phase transition in the alloy is a first-order transition; the transition occurs through the two-phase region D1_a + A1. The Green function technique, with account for the pair-correlation functions, was used to describe the order-disorder transition for the D1 _a superlattice. The theoretical temperature dependence obtained for the equilibrium parameter of long-range order is in satisfactory agreement with the experimental curve.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 4, pp. 92–97, April, 1978.     

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.     

High pressure behavior and structural properties of transition metal carbides

A pressure induced structural phase transition from NaCl-type (B₁) to CsCl-type (B₂) structure has been predicted in transition metal carbides, namely TiC, ZrC, NbC, HfC, and TaC by using an interionic potential theory with modified ionic charge (Z_m ), which includes Coulomb screening effect due to d-electron. The phase transition pressure (P_T ) relies on large volume discontinuity in pressure–volume relationship, and identifies the structural phase transition from B₁ phase to B₂ phase. The variation of second-order elastic constants with pressure follows a systematic trend identical to that observed in other compounds of NaCl-type structure. The Born criterion for stability is found to be valid in transition metal carbides.     

The electronic structure of some transition metal alloys

Thermal neutron scattering experiments have provided detailed information on the distributions of magnetic moment in a number of disordered ferromagnet binary alloys. The general features of these distributions together with saturation magnetization data are discussed and compared with various simple theories. Attention is focused on dilute alloy systems. After an introduction the paper is divided into four sections, the first of which deals with alloys which tend to follow the Slater-Pauling curve. Here a simple Thomas-Fermi treatment due to Friedel suggests that magnetic moment changes, largely confined to the minor constituent (solute) sites, should occur with a sign dependent on the nature of the density of states at the Fermi level in the pure major constituent (solvent). Comparison with experiment shows qualitative agreement except in the case of Fe-based alloys containing transition element solutes from the right of Fe in the periodic table. This discrepancy is examined and an explanation put forward. The next section outlines a discussion of the electronic structure of alloys of transition elements with non-transition metal solutes. The view is taken that the electronic configuration of a solute atom is roughly similar to the configuration found in the pure non-transition metal: it follows that no partially filled d orbitals are expected at solute sites. Use of a simple Thomas-Fermi model based on this assumption indicates that some of the electric screening associated with a non-transition metal solute takes place in the surrounding transition metal slovent. Additional electrons introduced in this way into the solvent occupy mainly d states and cause a reduction in magnetic properties. This reduction together with the total loss of d-state effects from the solute sites themselves can account qualitatively for the changes observed in Ni, Pd and Fe-based alloys with non-transition elements. The fourth section deals with the transition metal alloys which show marked departures from Slater-Pauling behaviour, e.g. NiCr. An explanation for these alloys has been provided by Friedel's bound impurity state model and the mechanism suggested by Comly, Holden and Low to account for the similarity in shape of the magnetic disturbances observed in different systems. The final section discusses ferromagnetic alloys of PdFe and PdCo. The giant moments associated with the Fe and Co solutes result from a widespread polarization of the Pd solvent contiguous to the solute atoms. This polarization can be interpreted with the use of a non-local exchange-enhanced susceptibility function for the Pd host. With increasing solute content this function becomes modified to an extent dependent on the shift of d holes from one spin direction to the other, i.e. on the mean polarization of the Pd.     

Quantum charge density fluctuations and the phase transition in Ce

We have calculated the quantum quadrupolar interaction due to charge density fluctuations of localized 4f-electrons in Ce by taking into account the angular dependence, the degeneracy of the localized 4f -orbitals and the spin-orbit coupling. The calculated crystal field of 4 f electronic states is in good agreement with neutron diffraction measurements. We show that orientational ordering of quantum quadrupoles drives a phase transition at K which we assign with the transformation. In the phase the centers of mass of the Ce atoms still form a face centered cubic lattice. The theory accounts for the first order character of the transition and for the cubic lattice contraction which accompanies the transition. The transition temperature increases linearly with pressure. Our approach does not involve Kondo spin fluctuations as the significant process for the phase transition. Received 19 October 1998     

Electrical breakdown as an insulator-to-metal transition

The effect of dielectric strengthening under electrical breakdown in thin oxide films and other materials is discussed. The breakdown phenomenon is considered as an insulator-to-metal phase transition. The effect of strengthening is thus associated with the fact that no phase transition seems to be possible when the system size is decreased below a certain characteristic length d _c (it is a so-called ‘tachyon instability’). This dimension is estimated to be d _c?～?ξ, where ξ is the correlation length for metal–insulator transition.     

On the high-pressure phase transition in

X-ray diffraction (XRD) experiments have been carried out on quartz-like GaPO₄ at high pressure and room temperature. A transition to a high pressure disordered crystalline form occurs at 13.5 GPa. Slight heating using a YAG infrared laser was applied at 17 GPa in order to crystallize the phase in its stability field. The structure of this phase is orthorhombic with space group Cmcm. The cell parameters at the pressure of transition are a =7.306?, b =5.887? and c =5.124?. Received: 7 October 1997 / Received in final form: 17 November 1997 / Accepted: 18 November 1997     

High-pressure phases and pressure-induced phase transition of MoN6 and ReN6

Transition metal nitrides have been widely used in many scientific and technical areas because of their unique physical and mechanical properties. We report two new nitrogen-rich transition metal nitrides, MoN₆ and ReN₆, by crystal structure searching technique. Under high pressure, MoN₆ will undergo phase transition (from R-3m to Pm-3 phase) at 54 GPa, and ReN₆ always keep the R-3m phase in the pressure range from 50 to 100 GPa. There are benzene-like six-membered “N6” rings with nitrogen single bonds in the R-3m phase structures, indicating that MoN₆ and ReN₆ are expected to be the high-energy-density materials.     

Structural phase transition in FeBO under pressure

Using the density functional theory the structural and magnetic properties of iron borate under high pressure have been studied. At about P = 22.7 GPa a first order phase transition to the phase described by the same space group Rc has been found. The phase transition is accompanied by a 9% volume change of the unit cell, a four times decrease of the magnetic moment on Fe, an increase of the charge density at Fe, and a disappearance of the energy gap in the electronic density of states. Received 21 September 2001 and Received in final form 6 January 2002 Published online 6 June 2002     

Ferroelectric phase transition in Langmuir-Blodgett films of copper phthalocyanine

A ferroelectric phase transition is observed in Langmuir-Blodgett films prepared from substituted copper phthalocyanine molecules. The linear and nonlinear dielectric properties of the films and the switching of their spontaneous polarization are investigated in the temperature range of the phase transition. The observed features can be explained by the Landau-Ginzburg model of a first-order phase transition. Pis’ma Zh. éksp. Teor. Fiz. 70, No. 9, 625–631 (10 November 1999)     

Orbital-selective Mott-insulator transition in Ca 2 - x Sr x RuO 4

The electronic structures of the metallic and insulating phases of the alloy series Ca_2-xSr_xRuO₄ ( 0 ? x ? 2) are calculated using LDA, LDA+U and Dynamical Mean-Field Approximation methods. In the end members the groundstate respectively is an orbitally non-degenerate antiferromagnetic insulator (x = 0) and a good metal (x = 2). For x > 0.5 the observed Curie-Weiss paramagnetic metallic state which possesses a local moment with the unexpected spin S = 1/2, is explained by the coexistence of localized and itinerant Ru-4d-orbitals. For 0.2 < x < 0.5 we propose a state with partial orbital and spin ordering. An effective model for the localized orbital and spin degrees of freedom is discussed. The metal-insulator transition at x = 0.2 is attributed to a switch in the orbital occupation associated with a structural change of the crystal. Received 27 July 2001     

Investigations on the soft-mode mechanism of the ferroelectric phase transition in

Dielectric and Raman spectroscopic measurements have been performed to investigate the ferroelectric phase transition in . Single crystals were grown by the zone melting method. The frequency dependence of the dielectric permittivity from 1 MHz to 1 GHz has been studied in a temperature range between 265 and 285 K. A Debye like dielectric dispersion was found, showing a critical slowing down around K. Polarized Raman spectra have been taken between 220 and 310 K. Two softening modes have been found, one of A- and another one of B / B g-symmetry. The phase transition mechanism in can be classified as partially order-disorder and partially displacive, confirming former structural results. It resembles strongly that of monoclinic . Received: 7 April 1998 / Revised: 5 June 1998 / Accepted: 16 June 1998     

Structural phase transition in the 2D spin dimer compound SrCu 2 ( BO 3 ) 2

A displacive, 2nd order structural phase transition at T _s = 395 K from space group I 2 m below T _s to I 4/m c m above T _s has been discovered in the two-dimensional spin dimer compound SrCu₂(BO₃)₂. The temperature evolution of the structure in both phases has been studied by X-ray diffraction and Raman scattering, supplemented by differential scanning calorimetry and SQUID magnetometry. The implications of this transition and of the observed phonon anomalies in Raman scattering for spin-phonon and interlayer coupling in this quantum spin system will be discussed. Received 24 July 2000 and Received in final form 2 November 2000     

Phase transition of samarium under high pressure

Abstract

The DAC X-ray power photograph method was employed for studing the phase transition of samarium up to 26.3 GPa. The experimental results show that the dhcp and fcc high pressure phase of Sm appeared at about 4.0 and 12.5 GPa and room temperature respectively. The dhcp phase was kept until 19.6 GPa. A model for Sm-type -? dhcp -? fcc phase transition is provided in this paper.     

Nonmetal - metal transition in liquid Se under high pressure

Abstract

Nonmetal-metal transition in liquid Se was discovered under high pressure. The tripple point between nonmetallic liquid, metallic liquid and solid phase has the position P_t=(3,6±0,5) GPa, T_t=(900±20) K. The transition has some features of a first order phase transition.     

The effect of the heating rate on the phase transition

ABSTRACT

The simple cubic spin-1 Ising model exhibits the ferromagnetic (F)–ferromagnetic (F) phase transition in the low temperature region for the interval 1.40 < d = D/J < 1.48 at k = K/J = –0.5. The degree of the F-F phase transition determines the special point on the (k_BT/J, d) phase diagram. In this paper, the critical behavior of the F-F phase transition was investigated for different heating rates using the cellular automaton heating algorithm. The universality class and the type of F-F phase transition were analyzed using the finite-size scaling theory and the power law relations. The results show that the F-F phase transition may be the second order, the first order or the weak first order depending on the heating rate in the interval 1.40 < d < 1.48 for k = –0.5.     

Polarization-flip transition under electric field in BCCD

Three-axes elastic neutron scattering measurements demonstrate that the five-fold modulated phase (phase 1/5) of BCCD exhibits under electric field a phase transition without change of superlattice periodicity. Through the monitoring of high-order satellite diffraction peaks as a function of electric field and temperature, the competition between this phase and neighboring polar phases with other periods has been characterized. At a threshold electric field of about 20 kV/cm, a rather abrupt redistribution of the satellite intensities of phase 1/5 is observed, without change of the corresponding primary modulation wave vector ( ⅕). A quantitative analysis of these intensity variations confirms the earlier conjecture based on dielectric experiments that the modulation essentially changes from a non-polar sequence 5up5down ( <5>) of polarized z-perpendicular layers of basic semicells, to a polar sequence 6up4down ( <64>). The transition is caused by the flip of the average polarization of one of the interface layers, and can then be described as a bounded discrete motion of the wall separating positive and negative microdomains within the five-fold unit cell. This type of polarization-flip phase transition had been detected and characterized in one-dimensional theoretical models as generalized Frenkel-Kontorova models or spin chains with elastic couplings, but had not been anticipated in theoretical analyses of BCCD, for which other phenomenological or microscopic models (as the ANNNI model) have been considered adequate. Only recently and in view of the experimental results reported here, we demonstrated, using a general phenomenological displacive model, the possibility of this type of transition in systems as BCCD [Phys. Rev. B 62, 11418 (2000)]. Phase diagrams with spin-flip phase transitions yield very peculiar phase diagrams with a checkerboard topological structure and self-similar features. In particular, they may present special critical points as the so-called upsilon points [J. Statistical Phys. 62, 45 (1991)]. BCCD may be then the first experimental system where they could be observed. Received 20 September 2001     

Transport phenomena of aligned ybco polycrystals near vortex-glass transition temperature in weak magnetic field

Abstract

Transport phenomena of aligned polycrystalline Y₁Ba₂Cu₃O_7?δ samples in weak magnetic fields near the vortex-glass transition temperature T_g have been studied. In YBCO polycrystal a fully superconducting state develops via an “intermediate phase”. The non-ohmic dissipation in this “intermediate phase” is examined in terms of both the thermal activated flux-flow (TAFF) model and vortex-glass transition model. Our experimental results in low magnetic fields can better be explained by a vortex glass transition model rather than a TAFF model. We have reinterpreted the non-ohmic dissipative region below T_c , i.e., the so-called “intermediate phase” in terms of a vortex-glass phase.