The effects of structural and vibrational disorder on the EXAFS signals are parameterized in terms of the Debye Waller (DW) factor. Here the vibrational contribution is addressed, which for most systems can be singled out by studying the temperature dependence of the EXAFS DW factor, which corresponds to a good accuracy to the parallel mean square relative displacement (MSRD) around the inter-atomic equilibrium distance. By comparing the first-shell EXAFS thermal expansion with the crystallographic thermal expansion one can evaluate the perpendicular MSRD. The results of recent measurements on copper and on several tetrahedral semiconductors are here critically compared and some properties of the MSRDs are discussed, such as the dependence of correlation, force constants and vibrational anisotropy on crystal structure and bond ionicity as well as the relative merits of the correlated Debye and Einstein models. The anharmonic contribution to the parallel MSRD of CdTe has been evaluated and a quasi-harmonic analysis has been attempted, leading to an estimation of the bond Grüneisen parameter.
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http://dx.doi.org/10.1107/S1600577515010759 | DOI Listing |
Conserv Physiol
May 2024
Research School of Biology, The Australian National University, 134 Linnaeus Way, Acton ACT 2601, Canberra, Australian Capital Territory, Australia.
Given the rising frequency of thermal extremes (heatwaves and cold snaps) due to climate change, comprehending how a plant's origin affects its thermal tolerance breadth (TTB) becomes vital. We studied juvenile plants from three biomes: temperate coastal rainforest, desert and alpine. In controlled settings, plants underwent hot days and cold nights in a factorial design to examine thermal tolerance acclimation.
View Article and Find Full Text PDFSci Rep
January 2025
Applied Optics Laboratory, Institute of Optics and Precision Mechanics, University Setif 1, Setif, 19000, Algeria.
This prediction evaluates the different physical characteristics of magnetic materials XFeO (X = Mg, Ca and Sr) by using density functional theory (DFT). The generalized gradient approximation (GGA) approach is chosen to define the exchange and correlation potential. The structural study of the compounds XFeO (X = Mg, Ca and Sr) shows that the ferromagnetic phase is the more stable ground state, where all the parameters of the network are given at equilibrium.
View Article and Find Full Text PDFJ Phys Chem Lett
January 2025
Institut de Ciència de Materials de Barcelona, ICMAB-CSIC, Campus UAB, 08193 Bellaterra, Spain.
So far, the striking sign reversal in the near-ambient slope of the gap temperature dependence of colloidal CsPbCl perovskite nanocrystals (NCs) compared to its Br counterpart remains unresolved. Pure bromide NCs exhibit a linear gap increase with increasing temperature, to which thermal expansion and electron-phonon interaction equally contribute. In contrast, the temperature slope for the chlorine compound gap is clearly negative.
View Article and Find Full Text PDFAdv Mater
January 2025
Department of Materials Science and Metallurgy, University of Cambridge, Cambridge, CB3 0FS, UK.
Thick metamorphic buffers are considered indispensable for III-V semiconductor heteroepitaxy on large lattice and thermal-expansion mismatched silicon substrates. However, III-nitride buffers in conventional GaN-on-Si high electron mobility transistors (HEMT) impose a substantial thermal resistance, deteriorating device efficiency and lifetime by throttling heat extraction. To circumvent this, a systematic methodology for the direct growth of GaN after the AlN nucleation layer on six-inch silicon substrates is demonstrated using metal-organic vapor phase epitaxy (MOVPE).
View Article and Find Full Text PDFCarbohydr Polym
March 2025
College of Biological and Food Engineering, Anhui Polytechnic University, Wuhu 241000, Anhui-, China; Wuhu Green Food Industrial Research Institute Co., Ltd., Wuhu 241000, Anhui- China. Electronic address:
The study involves the modification of a non-conventional starch isolated from the under-utilized variety of Chinese water chestnut (CWC (Eleocharis tuberosa) and integrating it to fabricate stabilized and curcumin-enriched Pickering emulsions with enhanced bioavailability, thermal stability, and retention of encapsulated curcumin. A time-efficient, semi-dried esterification method was used to prepare modified amphiphilic starches using 3, 6, or 9 % (w/v) octenyl succinic anhydride (OSA) and characterized through degree of substitution (DS), contact angle, particle size, scanning electron microscopy (SEM), X-ray diffraction (XRD), Fourier-transform infrared spectroscopy (FTIR), and in-vitro digestibility. Moreover, Pickering emulsions were formulated using CWCS-OSA at 3 %, 6 %, or 9 % concentrations to serve as a carrier for curcumin to improve its water solubility and storage stability.
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