High-resolution thermal expansion measurements have been performed for exploring the mysterious "structureless transition" in (TMTTF)2X (X=PF(6) and AsF6), where charge ordering at T(CO) coincides with the onset of ferroelectric order. Particularly distinct lattice effects are found at T(CO) in the uniaxial expansivity along the interstack c direction. We propose a scheme involving a charge modulation along the TMTTF stacks and its coupling to displacements of the counteranions X-. These anion shifts, which lift the inversion symmetry enabling ferroelectric order to develop, determine the 3D charge pattern without ambiguity. Evidence is found for another anomaly for both materials at T(int) approximately 0.6T(CO) indicative of a phase transition related to the charge ordering.
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http://dx.doi.org/10.1103/PhysRevLett.101.216403 | DOI Listing |
J Opt Soc Am A Opt Image Sci Vis
August 2024
Topological edge states (TESs) and topological corner states (TCSs) in photonic crystals (PCs) provide an effective way to control the propagation and localization of light. The topological performance of integrated photonic devices can be improved by introducing the basic structural unit of photonic quasicrystals (PQCs) into PCs. However, the previous works arranged the basic structural unit of Stampfli-type and 12-fold Penrose-type photonic quasicrystals into triangular lattices, which have a complex structure and allow light to only propagate around 60° or 120° corners, limiting their applications.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Department of Mechanical and Aerospace Engineering, University of Virginia, Charlottesville, Virginia 22904, United States.
Vanadium oxide (VO) is an exotic phase-change material with diverse applications ranging from thermochromic smart windows to thermal sensors, neuromorphic computing, and tunable metasurfaces. Nonetheless, the mechanism responsible for its metal-insulator phase transition remains a subject of vigorous debate. Here, we investigate the ultrafast dynamics of the photoinduced phase transition in VO under low perturbation conditions.
View Article and Find Full Text PDFNPJ Comput Mater
January 2025
Computational Atomic-scale Materials Design (CAMD), Department of Physics, Technical University of Denmark, Kgs. Lyngby, Denmark.
We conduct a systematic investigation of the role of Hubbard U corrections in electronic structure calculations of two-dimensional (2D) materials containing 3 transition metals. Specifically, we use density functional theory (DFT) with the PBE and PBE+U approximations to calculate the crystal structure, band gaps, and magnetic parameters of 638 monolayers. Based on a comprehensive comparison to experiments we first establish that the inclusion of the U correction worsens the accuracy for the lattice constants.
View Article and Find Full Text PDFDalton Trans
January 2025
Center for Research, Innovation, Development, and Applications (CRIDA), Jaiotec Labs (OPC) Private Limited, Amaravati, AP, 522503, India.
The existing demand for the development of innovative multimodal imaging nanomaterial probes for biomedical applications stems from their unique combination of dual response modalities, , photoluminescence (PL) and magnetic resonance imaging (MRI). In this study, for the first time, neodymium (Nd) and dysprosium (Dy) rare earth (RE) metal ions were co-doped into a hydroxyapatite (HAp) crystal lattice using a simple microwave-assisted synthesis technique to incorporate the essential properties of both the lanthanides in HAp. Theoretical as well as experimental studies were performed on novel Nd:Dy:HAp nanoparticles (NPs) to understand their photoluminescence and magnetic behaviour.
View Article and Find Full Text PDFACS Appl Mater Interfaces
January 2025
Key Laboratory of Radiation Physics and Technology, Ministry of Education, Institute of Nuclear Science and Technology, Sichuan University, Chengdu 610064, China.
Thermoelectric (TE) performance in materials is often constrained by the strong coupling between carrier and phonon transport, necessitating trade-offs between electrical and thermal properties that limit improvements in the figure of merit (). Herein, a novel strategy is proposed to achieve simultaneous energy filtering and enhanced phonon scattering, effectively optimizing the TE properties of CoSb-based skutterudites. By introducing CuTe nanoprecipitates into the YbCoSb matrix, interfacial barriers are formed, which selectively filter low-energy charge carriers, significantly improving the Seebeck coefficient while maintaining high carrier mobility.
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