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Temperature-Dependent Phase Transition in Orthorhombic [011]c Pb(Mg1/3Nb2/3) O3-0.35PbTiO3 Single Crystal
摘要： Relaxor [011]c PMN-0.35PT single crystal phase transition characteristics are investigated through various methods including variable temperature dielectric properties, X-ray diffraction, bipolar ferroelectric hysteresis loops (P-E) and electric-field-induced strain (S-E) hysteresis loops measurements. The results reveal that two phase transitions exist within the range from room temperature to 250 °C: orthorhombic (O)-tetragonal (T)-cubic (C). The O-to-T and T-to-C phase transition temperatures have been identified as 84 °C and 152 °C, respectively. Diffuseness degree of the T-to-C phase transition for the unpoled single crystal has been calculated to be 1.56, implying an intermediate state between normal and relaxor ferroelectrics. Temperature-dependent remanent polarization (Pr), coercive field (Ec), saturation polarization (Ps), hysteresis loop squareness (Rsq), and longitudinal piezoelectric constant (d*33) are also explored to learn the details of the phase transitions. Variable temperature unipolar Suni-E hysteresis loops avail additional evidence for the microstructure change in the as-measured single crystal.
关键词： temperature-dependent phase transition,S-E hysteresis loops,P-E hysteresis loops,orthorhombic [011]c PMN-0.35PT,dielectric properties,piezoelectric properties
更新于2025-09-23 15:22:29
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Femtosecond Optical Annealing Induced Polymer Melting and Formation of Solid Droplets
摘要： Interaction between femtosecond laser pulses with polymeric thin films induced transient optical annealing of the polymer molecules. Melting of the polymer films took place during the transient annealing process, so that a solid-liquid-solid phase transition process was observed. Ultrafast cooling of the melting polymer produced solidified droplets. Microscopic and spectroscopic characterization revealed that the polymer molecules were rearranged with preferable H-aggregation to reach the lowest formation energy during the melting process. Intermolecular coupling was enhanced due to the modified molecular arrangement. This observation of melting of polymeric semiconductors due to the interaction with femtosecond light pulses is potentially important for better understanding laser-matter interactions and for exploring organic optoelectronic devices through special material processing.
关键词： transient optical annealing,melting polymer droplets,solid-liquid-solid phase transition,femtosecond laser-matter interaction,molecular rearrangement
更新于2025-09-23 15:22:29
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Photo-Induced Phase Transition of CdZnS Based Nanocomposite at Room Temperature Under Solar Irradiation
摘要： Photo-induced phase transition (PIPT) of CdZnS based nanocomposites that was performed at the room temperature under the solar light illumination is reported here for the first time. CdZnS particles were decorated on reduced graphene oxide (RGO) with a solvothermal process and consequently RGO-CdZnS-5%Pt nanocomposites (PC) have been synthesized as zinc blende (cubic) phase of CdZnS. Zinc blende structure (cubic) of CdZnS components of PC was turned to wurtzite (hexagonal) crystal structure with PIPT during the photocatalytic hydrogen evolution reaction. The band gap of the photocatalyst decreased from 2.42 to 2.19 eV and the hydrogen evolution rate increased from 37.3 to 184.0 μ mol h?1 due to the PIPT process.
关键词： Photo-induced phase transition,Hydrogen production,Metal chalcogenides,Photocatalyst
更新于2025-09-23 15:22:29
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Phase Transition in Two-dimensional Tellurene under Mechanical Strain Modulation
摘要： We carry out computational simulations based on density functional theory (DFT) to investigate different phases of two-dimensional (2-D) tellurene. These phases are classified by their characteristic space groups and symmetry elements. Correlations of these phases to the bulk crystalline tellurium structure are also illustrated. Our specific interests include mechanical property calculations for different phases and the possible phase transitions between them. Simulation results show that these 2-D Te phases have very different elastic moduli due to their different atomic bonding and relaxed structures. Moreover, compression along the in-plane directions facilitates the α → β phase transition, while in-plane tensile strains always make the α-phase more stable than the β-phase. However, the energy difference between the two phases is comparable to or even much smaller than the thermal energy kT, depending on the in-plane strain direction. We find that further increase of the tensile strain along the chain direction beyond a critical value, ca. 12%, may lead to a possible α → γ phase transition. As the tensile strain is above 15%, the γ-phase will be more stable than the α-phase, accompanied by a further reduced transition energy barrier.
关键词： phase transition,elastic modulus,Tellurene,strain engineering,density functional theory (DFT),2-D materials
更新于2025-09-23 15:22:29
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gauge models: Towards quantum simulations of the Schwinger-Weyl QED
摘要： We study the ground-state properties of a class of Zn lattice gauge theories in 1 + 1 dimensions, in which the gauge fields are coupled to spinless fermionic matter. These models, stemming from discrete representations of the Weyl commutator for the U(1) group, preserve the unitary character of the minimal coupling and have, therefore, the property of formally approximating lattice quantum electrodynamics in one spatial dimension in the large-n limit. The numerical study of such approximated theories is important to determine their effectiveness in reproducing the main features and phenomenology of the target theory, in view of implementations of cold-atom quantum simulators of QED. In this paper, we study the cases n = 2 ÷ 8 by means of a DMRG code that exactly implements Gauss’s law. We perform a careful scaling analysis and show that, in absence of a background field, all Zn models exhibit a phase transition which falls in the Ising universality class, with spontaneous symmetry breaking of the CP symmetry. We then perform the large-n limit and find that the asymptotic values of the critical parameters approach the ones obtained for the known phase transition of the zero-charge sector of the massive Schwinger model, which occurs at negative mass.
关键词： phase transition,Ising universality class,CP symmetry,Zn lattice gauge theories,cold-atom quantum simulators,DMRG code,quantum electrodynamics
更新于2025-09-23 15:21:21
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Rapid holographic phase transition with brane-localized curvature
摘要： We study the finite-temperature properties of the Randall-Sundrum model in the presence of brane-localized curvature. At high temperature, as dictated by AdS=CFT, the theory is in a confined phase dual to the planar anti-de Sitter black hole. When the radion is stabilized, á la Goldberger-Wise, a holographic first-order phase transition proceeds. The brane-localized curvature contributes to the radion kinetic energy, which allows us to substantially decrease the critical bubble energy. Contrary to previous results, the phase transition is completed at much larger values of N, the number of degrees of freedom in the conformal field theory. Moreover, the value of the bulk scalar on the TeV brane is allowed to become large, consistent with backreaction constraints. Assisted by this fact, we find that for a wide region in the parameter space tunneling happens rather quickly, i.e., Tn=Tc ～ Oe0.1–1T. At zero temperature, the most important signature of brane-localized curvature is the reduction of spin-2 Kaluza-Klein graviton masses and a heavier radion.
关键词： holographic phase transition,Kaluza-Klein graviton,brane-localized curvature,radion,Randall-Sundrum model
更新于2025-09-23 15:21:21
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Optimized thermochromic properties of VO2/CoFe2O4 nanocomposite films via band gap engineering
摘要： VO2/CoFe2O4 nanoparticle composites were synthesized by hydrothermal method combined with annealing treatment. The nanocomposites consist of quasi-spherical nanoparticles with an average size of about 70 nm. The thermochromic properties of the nanocomposite films can be modulated by changing film thickness and the content of CoFe2O4 in the nanocomposites. The band gap of the VO2/CoFe2O4 nanocomposites increases with increasing CoFe2O4 additive content. The introduction of CoFe2O4 into VO2 matrix can not only lower the phase transition temperature, but also optimize the luminous transmittance and solar modulation ability of the VO2/CoFe2O4 nanocomposites as well. Our findings demonstrate a promising avenue in constructing VO2-based smart films with excellent thermochromic performance.
关键词： Solar modulation ability,VO2/CoFe2O4 nanocomposite,Luminous transmittance,Phase transition temperature
更新于2025-09-23 15:21:21
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Mechanisms of Semiconducting 2H to Metallic 1T Phase Transition in Two-Dimensional MoS <sub/>2</sub> Nanosheets
摘要： In the present work, phase transition mechanisms from semiconducting 2H phase to metallic 1T phase in MoS2 nanosheets were studied using density functional theory (DFT) method. Various 2H→1T phase transition mechanisms that consist of nucleation and propagation steps, which simulated by collective rotational and rotational/translational movements, single atom translational movement, as well as the gliding movement of one row for sulfur (S) atoms, on both the basal plane and Mo- and S-edges with different S coverages were investigated. On the perfect basal plane, the 1T phase nucleation is unlikely due to the extremely high barrier of 2.25 eV/atom. Whereas the presence of defective S vacancies on the basal plane dramatically facilitate the 1T phase nucleation and propagation around the defective sites by the collective rotational movement of three S atoms. On the 2H phase basal plane with two S vacancies, the kinetic barriers for the 1T phase nucleation are as low as of 0.66~0.77 eV/atom. Like the promoting effect of S vacancies on the phase transition over the basal plane, DFT results suggest that the S coverage on the Mo- and S-edges will affect the 1T phase nucleation and propagation. The 1T phase nucleation starting with the translational movement of single S atom on the bare Mo-edge and the gliding movement of an entire row of S atoms on the S-edge with 50%S coverage are kinetically favorable. While the 1T phase formation at the Mo-edge with 50%S coverage and the S-edge with 100%S coverage are unlikely. The present work not only confirms the important role of S vacancies/coverages in the 2H-1T phase transition, but also provides new insight into how and where the 2H-1T phase transition occurs at the atomic level, which also sheds light on the general phase transition mechanism for two-dimensional transition metal dichalcogenide materials.
关键词： 2H to 1T,MoS2,density functional theory,S vacancies,phase transition,S coverages
更新于2025-09-23 15:21:21
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Study of materials structure physics of isomorphic LiNbO <sub/>3</sub> and LiTaO <sub/>3</sub> ferroelectrics by synchrotron radiation X-ray diffraction
摘要： Electron charge density studies of stoichiometric LiNbO3 and LiTaO3 ferroelectrics have been carried out by analyzing the synchrotron radiation X-ray powder di?raction data using a combination of the Rietveld and maximum entropy methods. The clear relationships between the Nb(Ta)–O bond length, the electron charge density on the Nb(Ta)–O bond, and the phase transition temperature TC are revealed for isomorphic structures. Nb(Ta)–O bonding plays an important role in the elevation of TC. The TC in LiNbO3 being higher than that in LiTaO3 is attributed to the larger lattice distortion of the Nb–O oxygen octahedron in LiNbO3. The validity of estimating TC for LiNbO3 family crystals from the degree of lattice distortion in the ferroelectric structure is discussed.
关键词： ferroelectric,LiTaO3,X-ray diffraction,synchrotron radiation,LiNbO3,phase transition temperature,electron charge density
更新于2025-09-23 15:21:21
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Isostructural metal-insulator transition in VO <sub/>2</sub>
摘要： The metal-insulator transition in correlated materials is usually coupled to a symmetry-lowering structural phase transition. This coupling not only complicates the understanding of the basic mechanism of this phenomenon but also limits the speed and endurance of prospective electronic devices. We demonstrate an isostructural, purely electronically driven metal-insulator transition in epitaxial heterostructures of an archetypal correlated material, vanadium dioxide. A combination of thin-film synthesis, structural and electrical characterizations, and theoretical modeling reveals that an interface interaction suppresses the electronic correlations without changing the crystal structure in this otherwise correlated insulator. This interaction stabilizes a nonequilibrium metallic phase and leads to an isostructural metal-insulator transition. This discovery will provide insights into phase transitions of correlated materials and may aid the design of device functionalities.
关键词： electronic phase transition,vanadium dioxide,metal-insulator transition,correlated materials,heterostructures
更新于2025-09-23 15:21:01