We investigate numerically the existence of photonic band gaps in woodpile crystals. We present a numerical method specifically developed to solve Maxwell's equations in such photonic structures. It is based upon a rigorous mathematical formulation and leads to a considerable improvement of the convergence speed as compared to other existing numerical methods. We tested our method by comparing the calculated reflectivity with measurements on an actual sample, i.e., a silicon woodpile photonic crystal designed for 1.5 microm wavelength. Excellent agreement is obtained, provided the main structural imperfections of the sample are taken into account. We show that the existence of photonic band gaps in woodpile crystals requires an index contrast higher than 2.05 +/- 0.01. The effects of imperfections of such structures with an index contrast equal to 2.25 are also investigated. Thus, the relative band gap width falls from 3.5% to 2.2% with structurals imperfection similar to those of the sample.
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http://dx.doi.org/10.1103/PhysRevE.67.066601 | DOI Listing |
Sci Rep
December 2024
Condensed Matter Theory Group, School of Studies in Physics, Jiwaji University, Gwalior, 474 011, India.
This study presents a comprehensive investigation into the intrinsic properties of RNiP (where R = Sm, Eu) filled skutterudite, employing the full-potential linearized augmented plane wave method within density functional theory (DFT) simulations using the WIEN2k framework. Structural, phonon stability, mechanical, electronic, magnetic, transport, thermal, and optical properties are thoroughly explored to provide a holistic understanding of these materials. Initially, the structural stability of SmNiP and EuNiP is rigorously evaluated through ground-state energy calculations obtained from structural optimizations, revealing a preference for a stable ferromagnetic phase over competing antiferromagnetic and non-magnetic phases.
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December 2024
College of Education, Department of Physics, Misan University, Amarah, Iraq.
This study introduces a high-performance 4-channel Metal-Insulator-Metal (MIM) diplexer, employing silver and Teflon, optimized for advanced photonic applications. The proposed diplexer, configured with two novel band-pass filters (BPFs), operates across four distinct wavelength bands (843 nm, 1090 nm, 1452 nm, 1675 nm) by precisely manipulating the passband dimensions. Utilizing Finite-Difference Time-Domain (FDTD) simulations, the designed diplexer achieves exceptional sensitivity values of 3500 nm/RIU, 4250 nm/RIU, 3375 nm/RIU, and 4003 nm/RIU, along with high figures of merit (FOM) ranging from 113.
View Article and Find Full Text PDFAdv Sci (Weinh)
December 2024
Key Laboratory for Photonic and Electronic Bandgap Materials, Ministry of Education, School of Physics and Electronic Engineering, Harbin Normal University, Harbin, Heilongjiang, 150025, China.
Lithium-sulfur batteries (LSBs) offer high energy density and environmental benefits hampered by the shuttle effect related to sluggish redox reactions of long-chain lithium polysulfides (LiPSs). However, the fashion modification of the d-band center in separators is still ineffective, wherein the mechanism understanding always relies on theoretical calculations. This study visibly probed the evolution of the Co 3d-band center during charge and discharge using advanced inverse photoemission spectroscopy/ultraviolet photoemission spectroscopy (IPES/UPS), which offers reliable evidence and are consistent well with theoretical calculations.
View Article and Find Full Text PDFJ Am Chem Soc
December 2024
Department of Chemical Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States.
Designing catalysts with well-defined active sites with chemical functionality responsive to visible light has significant potential for overcoming scaling relations limiting chemical reactions over heterogeneous catalyst surfaces. Visible light can be leveraged to facilitate the removal of strongly bound species from well-defined single cationic sites (Rh) under mild conditions (323 K) when they are incorporated within a photoactive perovskite oxide (Rh-doped SrTiO). CO, a key intermediate in many chemistries, forms stable geminal dicarbonyl Rh complexes (Rh(CO)), that could act as site blockers or poisons during a catalytic cycle.
View Article and Find Full Text PDFACS Appl Mater Interfaces
December 2024
Department of Materials Science and Engineering, Chosun University, Gwangju 61452, Korea.
With the applications of in situ X-ray diffraction (XRD), electrical - measurement, and ambient pressure hard X-ray photoelectron spectroscopy (AP-HAXPES), the characteristics of the topotactic phase transition of LaCoO (LCO) thin films are examined. XRD measurements show clear evidence of structural phase transition (SPT) of the LCO thin films from the perovskite (PV) LaCoO to the brownmillerite (BM) LaCoO phases through the intermediate LaCoO phase at a temperature of 350 °C under high-vacuum conditions, ∼10 mbar. The reverse SPT from BM to PV phases is also found under ambient pressure (>100 mbar) of air near 100 °C.
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