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Phase transition and luminescence properties of GdTiNbO6:Eu3+ formed by hydrothermal route

Highlights: • Phase transition and luminescence of hydrothermal GdTiNbO{sub 6}:Eu{sup 3+} were investigated. • RE{sup 3+} radius 0.1061 nm was the boundary between the aeschynite and euxenite. • GdTiNbO{sub 6}:0.30Eu{sup 3+} was preferred for UV-B excitation, 0.50Eu{sup 3+} for Vis-light excitation. • The decay lifetime of 615 nm emission (ex = 405 nm) was 570∼571 μs. - Abstract: The dependences of phase transition and luminescence properties upon both Eu{sup 3+} concentration and heating temperature in air were investigated for GdTiNbO{sub 6}:Eu{sup 3+} fine crystals formed hydrothermally at 240 °C as aeschynite-type Eu{sub x}Gd{sub 1-x}TiNbO{sub 6} solid solution. The as-prepared aeschynite solid solution in the concentration range x ≥ 0.70 did not show the phase transformation from an aeschynite- to an euxenite-type structure caused by heating at 1300 °C for 1 h in air. The present study suggested that the phase boundary between the aeschynite- and euxenite-type RETiNbO{sub 6} in the EuTiNbO{sub 6}-GdTiNbO{sub 6} system, where RE was a rare earth, lay in the average RE{sup 3+} ionic radius 0.1061 nm. The intense emissions attributed to the {sup 5}D{sub 0}→{sup 7}F{sub 1} and {sup 5}D{sub 0}→{sup 7}F{sub 2} transitions of Eu{sup 3+} for the as-prepared samples were more improved by heating at 1100–1300°C in air. The material doped with 30 mol% Eu{sup 3+} was preferred for UV-B excitation, in contrast, the material with 50 mol% Eu{sup 3+} was preferred for visible light excitation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Size Dependence of the Tetragonal to Orthorhombic Phase Transition of Ammonia Borane in Nanoconfinement

We have investigated the thermodynamic property modification of ammonia borane via nanoconfinement. Two different mesoporous silica scaffolds, SBA-15 and MCM-41, were used to confine ammonia borane. Using in situ Raman spectroscopy, we examined how pore size influences the phase transition temperature from tetragonal (I4mm) to orthorhombic (Pmn21) for ammonia borane. In bulk ammonia borane, the phase transition occurs at around 217 K; however, confinement in SBA-15 (with ~8 nm pore sizes) reduces this temperature to approximately 195 K, while confinement in MCM-41 (with pore sizes of 2.1–2.7 nm) further lowers it to below 90 K. This suppression of the phase transition as a function of pore size has not been previously studied using Raman spectroscopy. The stability of the I4mm phase at a much lower temperature can be interpreted by incorporating the surface energy terms to the overall free energy of the system in a simple thermodynamic model, which leads to a significant increase in the surface energy when transitioning from the tetragonal phase to the orthorhombic phase.

Najiba, Shah↗

Cyclic versus Linear Alkylammonium Cations: Preventing Phase Transitions at Operational Temperatures in 2D Perovskites

Two-dimensional lead halide perovskites offer numerous attractive features for optoelectronics owing to their soft, deformable lattices and high degree of chemical tunability. While alteration of the metal and halide ions gives rise to significant modification of the bandgap energy, the organic spacer cations offer in-roads to tuning phase behavior and more subtle functionalities in ways that remain to be understood. Here, we study six variations of 2D perovskites changing only the organic spacer cations and demonstrate that these components intrinsically impact material response in important ways such as altering crystallographic structure, temperature-induced phase transitions, and photoluminescence emission. Two-dimensional perovskites containing commonly utilized aliphatic linear spacers, such as butylammonium, undergo phase transitions near room temperature. These transitions and temperature changes induce spacer-dependent variations in the emission spectra. Conversely, 2D perovskites comprising cyclic aliphatic spacers, such as cyclobutylammonium, are found to lack first-order phase transitions. These cyclic molecules are more sterically hindered within the crystal lattice, leading to temperature-induced contraction or expansion along certain crystallographic planes but no other significant thermal effects; additionally, they undergo changes in their emission spectra that cannot be explained by simple thermal expansion. Finally, given the similarities in the dielectric and chemical makeup of this set of six alkylammonium molecules, these results are unexpected and suggest a large structural and thermal phase space via spacer manipulation that could lead to improved 2D perovskite functionalization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

ALP-assisted strong first-order electroweak phase transition and baryogenesis

Axion-like particles (ALPs) can be naturally lighter than the electroweak scale. We consider an ALP that couples to the Standard Model Higgs to achieve the strong first-order electroweak phase transition. We discuss the two-field dynamics of the phase transition and the associated computation in detail and identify the viable parameter space. The ALP mass can be from the MeV to GeV scale. Baryon asymmetry can be explained by local baryogenesis without violating the current electron and atom electric dipole moment bound in most of the viable parameter space. The viable parameter space can be probed through Higgs exotic decay, rare kaon decay, the electron and atomic electric dipole moment, and the effective number of neutrinos in the cosmic microwave background in the future. The gravitational-wave signal is too weak to be detected.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Diagonal entropy and topological phase transitions in extended Kitaev chains

We investigate the diagonal entropy for ground states of the extended Kitaev chains with extensive pairing and hopping terms. The systems contain rich topological phases equivalently represented by topological invariant winding numbers and Majorana zero modes. Both the finite size scaling law and block scaling law of the diagonal entropy are studied, which indicates that the diagonal entropy demonstrates volume effect. The parameter of volume term is regarded as the diagonal entropy density, which can identify the critical points of symmetry-protected topological phase transitions efficiently in the studied models, even for those with higher winding numbers. The formulation of block scaling law and the capability of diagonal entropy density in detecting topological phase transitions are independent of the chosen bases. In order to manifest the advantage of diagonal entropy, we also calculate the global entanglement, which cannot show clear signatures of the topological phase transitions. This work provides a new quantum-informatic approach to characterize the feature of the topologically ordered states and may motivate a deep understanding of the quantum coherence and diagonal entropy in various condensed matter systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Critical behavior of the ferromagnetic-paramagnetic phase transition in Fe{sub 90−x}Ni{sub x}Zr{sub 10} alloy ribbons

This work presents a detailed study on the critical behavior of the ferromagnetic-paramagnetic (FM-PM) phase transition in Fe{sub 90−x}Ni{sub x}Zr{sub 10} (x = 0 and 5) alloy ribbons. Basing on field dependences of magnetization (M-H), M{sup 2} versus H/M plots prove the alloys exhibiting a second-order magnetic phase transition. To investigate the nature of the FM-PM phase transition at T{sub C} = 245 and 306 K for x = 0 and 5, respectively, we performed a critical-exponent study. The values of critical components β, γ, and δ determined by using the modified Arrott plots, Kouvel-Fisher (KF), and critical isotherm analyses agree with each other. For x = 0, the critical parameters β = 0.365 ± 0.013 and γ = 1.615 ± 0.033 are obtained by modified Arrott plots while β = 0.368 ± 0.008 and γ = 1.612 ± 0.016 are obtained by the KF method. These values are close to those expected for the 3D-Heisenberg model, revealing short-range FM interactions in Fe{sub 90}Zr{sub 10}. Meanwhile, for x = 5, the values of the critical parameters β = 0.423 ± 0.008 and γ = 1.325 ± 0.036 are obtained by modified Arrott plots, and β = 0.425 ± 0.006 and γ = 1.323 ± 0.012 are obtained by the KF method. The falling of the β value in between the values of the mean-field theory (β = 0.5) and the 3D-Heisenberg model (β = 0.365) indicates an existence of FM short-range order and magnetic inhomogeneity in Fe{sub 85}Ni{sub 5}Zr{sub 10}. With a partial replacement of Ni for Fe in Fe{sub 90−x}Ni{sub x}Zr{sub 10}, the value of the critical exponent β trends to shift towards that of the mean-field theory. Such the result proves the presence of Ni favors establishing FM long-range order. The nature of this phenomenon is carefully discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantum phase transitions and band mixing in 135 Ba

Quantum phase transitions and band-mixing phenomena are considered within the framework of a two-state boson–fermion model for the odd-mass 135 Ba nucleus. Here, the purpose of the study is to further explore the nature of the interplay between these modalities within the framework of an even–even boson core described by an IBM Hamiltonian coupled to a j = 3/2 fermion as a function of the strength of the coupling constant that links the boson and fermion pictures. The results show that excitation energies and the known E2 strengths of 135 Ba are sensitive to the strength of the coupling constant, with a best fit to known experimental results yielding results that lie close to those of the recently proposed E(5/4) model.

135Ba↗

Study of the Kinetics of the Phase Transition of the First Order in Tetracosane C{sub 24}H{sub 50} by Fourier-Transform IR Spectroscopy

The kinetics of the development of the structural phase transition of the first order in monodisperse samples of tetracosane C{sub 24}H{sub 50} has been studied using Fourier-transform IR spectroscopy. Temperature dependences of frequencies and intensities of rocking (in the region of ν ~ 720 cm{sup –1}) and bending (in the region of ν ~ 1470 cm{sup –1}) vibration modes of CH{sub 2} groups in trans methylene sequences in crystalline cores of elementary lamellae has been analyzed. It has been shown that the solid-phase transition of the first order develops by the heterogeneous mechanism in a narrow temperature interval ΔT ~ 2 K according to the theory of diffuse phase transitions of the first order and is caused by changes in the symmetry of crystallographic cells.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Quantized resistance revealed at the criticality of the quantum anomalous Hall phase transitions

In multilayered magnetic topological insulator structures, magnetization reversal processes can drive topological phase transitions between quantum anomalous Hall, axion insulator, and normal insulator states. Here we report an examination of the critical behavior of two such transitions: the quantum anomalous Hall to normal insulator (QAH-NI), and quantum anomalous Hall to axion insulator (QAH-AXI) transitions. By introducing a new analysis protocol wherein temperature dependent variations in the magnetic coercivity are accounted for, the critical behavior of the QAH-NI and QAH-AXI transitions are evaluated over a wide range of temperature and magnetic field. Despite the uniqueness of these different transitions, quantized longitudinal resistance and Hall conductance are observed at criticality in both cases. Furthermore, critical exponents were extracted for QAH-AXI transitions occurring at magnetization reversals of two different magnetic layers. The observation of consistent critical exponents and resistances in each case, independent of the magnetic layer details, demonstrates critical behaviors in quantum anomalous Hall transitions to be of electronic rather than magnetic origin. Our finding offers a new avenue for studies of phase transition and criticality in QAH insulators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Prediction of B1 to B10 phase transition in LuN under pressure: An ab-initio investigation

Ab-initio total energy calculations have been performed in lutetium nitride (LuN) as a function of hydrostatic compression to understand the high pressure behavior of this compound. Our calculations predict a phase transition from ambient rocksalt type structure (B1 phase) to a tetragonal structure (B10 phase) at ~ 240 GPa. The phase transition has been identified as first order in nature with volume discontinuity of ~ 6%. The predicted high pressure phase has been found to be stable up to at least 400 GPa, the maximum pressure up to which calculations have been performed.Further, to substantiate the results of static lattice calculations analysis of lattice dynamic stability of B1 and B10 phase has been carried out at different pressures. Apart from this, we have analyzed the lattice dynamic stability CsCl type (B2) phase around the 240 GPa, the pressure reported for B1 to B2 transition in previous all-electron calculations by Gupta et al. 2013. We find that the B2 structure is lattice dynamically unstable at this pressure and remains unstable up to ~ 400 GPa, ruling out the possibility of B1 to B2 phase transition at least up to ~ 400 GPa. Further, the theoretically determined equation of state has been utilized to derive various physical quantities such as zero pressure equilibrium volume, bulk modulus, and pressure derivative of bulk modulus of B1 phase at ambient conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

VO{sub 2} (A): Reinvestigation of crystal structure, phase transition and crystal growth mechanisms

Well crystallized VO{sub 2} (A) microrods were grown via a single step hydrothermal reaction in the presence of V{sub 2}O{sub 5} and oxalic acid. With the advantage of high crystalline samples, we propose P4/ncc as an appropriate space group at room temperature. From morphological studies, we found that the oriented attachment and layer by layer growth mechanisms are responsible for the formation of VO{sub 2} (A) micro rods. The structural and electronic transitions in VO{sub 2} (A) are strongly first order in nature, and a marked difference between the structural transition temperatures and electronic transitions temperature was evidenced. The reversible intra- (LTP-A to HTP-A) and irreversible inter- (HTP-A to VO{sub 2} (M1)) structural phase transformations were studied by in-situ powder X-ray diffraction. Attempts to increase the size of the VO{sub 2} (A) microrods are presented and the possible formation steps for the flower-like morphologies of VO{sub 2} (M1) are described. - Graphical abstract: Using a single step and template free hydrothermal synthesis, well crystallized VO{sub 2} (A) microrods were prepared and the P4/ncc space group was assigned to the room temperature crystal structure. Reversible and irreversible phase transitions among different VO{sub 2} polymorphs were identified and their progressive nature was highlighted. Attempts to increase the microrods size, involving layer by layer formation mechanisms, are presented. - Highlights: • Highly crystallized VO{sub 2} (A) microrods were grown via a single step hydrothermal process. • The P4/ncc space group was determined for VO{sub 2} (A) at room temperature. • The electronic structure and progressive nature of the structural phase transition were investigated. • A weak coupling between structural and electronic phase transitions was identified. • Different crystallite morphologies were discussed in relation with growth mechanisms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Ferroelectric to paraelectric phase transition mechanism in poled PVDF-TrFE copolymer films

Direct experimental insights into the structural and dynamical mechanisms for ferroelectric β to paraelectric α phase transition in a poled PVDF-TrFE copolymer is obtained from in situ x-ray diffraction and quasielastic neutron scattering measurements at high temperatures. It is observed that the β-to-α phase transition proceeds through two energetically distinct processes, which are identified here as the nucleation and growth of an intermediate γ phase with random skew linkages followed by a γ-to-α transition. The two energetically distinct microscopic processes can explain the stages of evolution for β-to-α phase transition observed from heat flow measurements.

36 MATERIALS SCIENCE↗

Cross Entropy Benchmark for Measurement-Induced Phase Transitions

Here, we investigate prospects of employing the linear cross entropy to experimentally access measurement-induced phase transitions without requiring any postselection of quantum trajectories. For two random circuits that are identical in the bulk but with different initial states, the linear cross entropy χ between the bulk measurement outcome distributions in the two circuits acts as an order parameter, and can be used to distinguish the volume law from area law phases. In the volume law phase (and in the thermodynamic limit) the bulk measurements cannot distinguish between the two different initial states, and χ = 1. In the area law phase χ < 1. For circuits with Clifford gates, we provide numerical evidence that χ can be sampled to accuracy ϵ from O⁢(1/ϵ 2 ) trajectories, by running the first circuit on a quantum simulator without postselection, aided by a classical simulation of the second. We also find that for weak depolarizing noise the signature of the measurement-induced phase transitions is still present for intermediate system sizes. In our protocol we have the freedom of choosing initial states such that the “classical” side can be simulated efficiently, while simulating the “quantum” side is still classically hard.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Thermotropic phase transitions in Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} ceramics: Temperature dependent dielectric permittivity and Raman scattering

The phase transitions of Pb{sub 1−x}Sr{sub x}(Al{sub 1/3}Nb{sub 2/3}){sub 0.1}(Zr{sub 0.52}Ti{sub 0.48}){sub 0.9}O{sub 3} (Sr-modified PAN-PZT) ceramics with Sr compositions of x = 2%, 5%, 10% and 15% have been investigated using X-ray diffraction (XRD), temperature dependent dielectric permittivity and Raman scattering. The XRD analysis show that the phase transition occurs between Sr composition of 5% and 10%. Based on the broad dielectric peaks at 100 Hz, the diffused phase transition from tetragonal (T) to cubic (C) structure shifts to lower temperature with increasing Sr composition. The dramatic changes of wavenumber and full width at half-maximum (FWHM) for E(TO{sub 4})′ softing mode can be observed at morphotropic phase boundary (MPB). Moreover, the MPB characteristic shows a wider and lower trend of temperature region with increasing Sr composition. It could be ascribed to the diminishment of the energy barrier and increment of A-cation entropy. Therefore, the Sr-modified PAN-PZT ceramics unambiguously undergo two successive structural transitions (rhombohedral-tetragonal-cubic phase) with temperature from 80 to 750 K. Correspondingly, the phase diagram of Sr-modified PAN-PZT ceramics can be well depicted.

36 MATERIALS SCIENCE↗

Controllable superconducting to semiconducting phase transition in topological superconductor 2M-WS 2

The investigation of exotic properties in two-dimensional (2D) topological superconductors has garnered increasing attention in condensed matter physics, particularly for applications in topological qubits. Despite this interest, a reliable way of fabricating topological Josephson junctions (JJs) utilizing topological superconductors has yet to be demonstrated. Controllable structural phase transition presents a unique approach to achieving topological JJs in atomically thin 2D topological superconductors. In this work, we report the pioneering demonstration of a structural phase transition from the superconducting to the semiconducting phase in the 2D topological superconductor 2M-WS 2 . We reveal that the metastable 2M phase of WS 2 remains stable in ambient conditions but transitions to the 2H phase when subjected to temperatures above 150°C. We further locally induced the 2H phase within 2M-WS 2 nanolayers using laser irradiation. Notably, the 2H phase region exhibits a hexagonal shape, and scanning tunneling microscopy (STM) uncovers an atomically sharp crystal structural transition between the 2H and 2M phase regions. Moreover, the 2M to 2H phase transition can be induced at the nanometer scale by a 200 keV electron beam. The electrical transport measurements further confirmed the superconductivity of the pristine 2M-WS 2 and the semiconducting behavior of the laser-irradiated 2M-WS 2 . Furthermore, our results establish a novel approach for controllable topological phase change in 2D topological superconductors, significantly impacting the development of atomically scaled planar topological JJs.

2D materials↗

Quantum Entanglement as a Diagnostic of Phase Transitions in Disordered Fractional Quantum Hall Liquids

We investigate the disorder-driven phase transition from a fractional quantum Hall state to an Anderson insulator using quantum entanglement methods. We find that the transition is signaled by a sharp increase in the sensitivity of a suitably averaged entanglement entropy with respect to disorder—the magnitude of its disorder derivative appears to diverge in the thermodynamic limit. We also study the level statistics of the entanglement spectrum as a function of disorder. However, unlike the dramatic phase-transition signal in the entanglement entropy derivative, we find a gradual reduction of level repulsion only deep in the Anderson insulating phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigating signatures of phase transitions in neutron-star cores

Neutron stars explore matter at the highest densities in the universe such that their inner cores might undergo a phase transition from hadronic to exotic phases, e.g., quark matter. Such a transition could be associated with nontrivial structures in the density behavior of the speed of sound, such as jumps and sharp peaks. Here, in this work, we employ a physics-agnostic approach to model the density dependence of the speed of sound in neutron stars and study to what extent the existence of nontrivial structures can be inferred from existing astrophysical observations of neutron stars. For this, we exhaustively study different equations of state, including as well those with explicit first-order phase transitions. We obtain a large number of different equation of states which reproduce the same astrophysical observations and obey the same physical constraints, such as mechanical stability and causality. Among them, some have nontrivial structures in the sound speed whereas others do not. We conclude that astrophysical information to date do not require the existence of a phase transition to quark matter in the density range explored in the core of neutron stars.

79 ASTRONOMY AND ASTROPHYSICS↗

Raman study of the improper ferroelectric phase transition in iron iodine boracite

The reduction in the dielectric anomaly near the phase transition temperature in improper ferroelectrics suggests that this behavior may be exploited to significantly enhance the figure-of-merit for pyroelectric infrared detection. This reduction is associated with a decoupling of the thermal and dielectric responses which, in turn, reflects the unusual nature of the lattice instability at the phase transition. In order to elucidate the characteristics of the phonon behavior connected with the lattice instability, Raman scattering of Fe3B7O13I has been examined in both the paraelectric and ferroelectric phases. The results of this study as well as results from earlier measurements on other boracites, provides insight into the nature of the mode softening.

Kim, Q.↗