Optical Materials最新文献

{"title":"Impact of intramolecular energy migration on temperature-sensitive Tb3+ emission in Tb(III) complexes with tetra-1,3-diketone calix[4]arenes","authors":"Dmitry V. Lapaev ,&nbsp;Victor G. Nikiforov ,&nbsp;Artemy G. Shmelev ,&nbsp;Svetlana N. Sudakova ,&nbsp;Sergey N. Podyachev ,&nbsp;Asiya R. Mustafina","doi":"10.1016/j.optmat.2025.116845","DOIUrl":"10.1016/j.optmat.2025.116845","url":null,"abstract":"<div><div>The present study explores the structure-property relationship for Tb(III) complexes with <em>p</em>-tetra-1,3-diketone substituted calix[4]arenes. The luminescence spectroscopy methods were used to perform a comparative analysis of photophysical processes in several auxiliary Tb(III) complexes and isostructural Gd(III) complexes. It has been established that the luminescent properties of the complexes are primarily determined by intramolecular energy migration between two chromophores related to the 1,3-diketonate and calix[4]arene moieties. The proposed energy transfer pathways have been successfully tested through simulations of the luminescence kinetics of Tb³⁺ ions in the Tb(III) complexes over a range of a few microseconds to several milliseconds. The revealed energy transfer mechanisms offer broad prospects for customizing the functionality of Tb(III) 1,3-diketonate-calix[4]arene complexes for various applications by controlling the non-radiative relaxation rate. In order to demonstrate this, we have functionalized the calix[4]arene with nonyl groups on the lower rim. This reduced the non-radiative losses by 20 times at room temperature, and decreased the relative temperature sensitivity of the Tb³⁺ luminescence response by 4 times. The results presented in this study are of particular interest for the functional design of fluorophores based on calix[4]arene platforms.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116845"},"PeriodicalIF":3.8,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508916","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Exploring quantum confinement and photoluminescence in NiO@W2C composite hybrid nanostructures for advanced photocatalytic applications","authors":"Abeer A. AlObaid ,&nbsp;Zulfqar Ali Sheikh ,&nbsp;Mukesh Kumar Verma ,&nbsp;Qamar Ali Mir ,&nbsp;Wengang Bi ,&nbsp;Aadil Ahmad Bhat","doi":"10.1016/j.optmat.2025.116848","DOIUrl":"10.1016/j.optmat.2025.116848","url":null,"abstract":"<div><div>Transition metal carbides have emerged as promising candidates for co-catalysts in photocatalytic applications, attracting significant attention in recent research endeavors. In this study, we report the hydrothermal synthesis and characterization of NiO@W₂C composite hybrid nanostructures designed for use as photocatalysts. Through a detailed investigation, we explore the structural, optical, and catalytic properties of these nanostructures, aiming to elucidate their potential in optoelectronic applications. The X-ray diffraction (XRD) analysis confirms the co-existence of both NiO and W₂C phases in the synthesized nanostructures. Raman spectroscopy further provides strong evidence supporting the formation of 15 % NiO@W₂C composite hybrid nanostructures, while <em>X-ray photoelectron spectroscopy</em> (XPS) provided insights into their oxidation states and bonding configurations. Scanning electron microscopy (SEM) and energy-dispersive X-ray spectroscopy (EDX) analyses showed a uniform distribution on the composite surface. The NiO nanoparticles exhibit a blue shift in the absorption edge, indicating quantum confinement effects, while the 15 % NiO@W₂C composite shows absorption peaks in both the UV and NIR regions, confirming the successful synthesis of the composite material. The calculated band gap for 15 % NiO@W₂C is 3.46 eV. The 15 % NiO@W₂C composite exhibited Photoluminescence (PL) quenching, suppressing carrier recombination for enhanced photocatalytic performance. Quantum confinement effects were observed, with PL emission peaks shifting to higher wavelengths due to size distribution by using various excitation wavelengths. The 15 % NiO@W₂C composite shows full width half maxima (FWHM) of around 140 nm. Further research is needed to understand the underlying mechanisms and optimize these materials for specific applications in catalysis, energy storage, and biological sensing.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116848"},"PeriodicalIF":3.8,"publicationDate":"2025-02-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143479059","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Low-loss chalcogenide anti-resonant hollow-core fiber for mid-infrared power delivery at wavelengths beyond 8 μm","authors":"He Ren ,&nbsp;Dakun Wu ,&nbsp;Tianying Qiu ,&nbsp;Fei Yu ,&nbsp;Xian Feng ,&nbsp;Zhiyong Yang ,&nbsp;Long Zhang","doi":"10.1016/j.optmat.2025.116844","DOIUrl":"10.1016/j.optmat.2025.116844","url":null,"abstract":"<div><div>High-power single-mode quantum cascade lasers (QCLs) operating in the 8–12 μm atmospheric window have been developed rapidly for advanced long-distance applications. Chalcogenide (Chg) instead of silica-based anti-resonant hollow-core fibers (AR-HCFs) show promise for delivering such high-power single-mode mid-infrared (MIR) laser beams due to their relatively low material absorption beyond 8 μm. However, current Chg AR-HCFs still exhibit significant losses at these wavelengths, mostly attributed to the structural defect. In this paper, an As₂S₃-based AR-HCF with a cladding composed of six non-touching capillaries was fabricated by the stack-and-draw method. The fabrication process was optimized to minimize the structure defect. The measured fiber attenuation at 8.34 μm was 1.3 dB/m, which is the lowest loss for Chg AR-HCFs operating at wavelengths beyond 8 μm to the best of our knowledge. Additionally, the measured bending loss was below 0.8 dB/m at bending radii above 20 cm. The numerical aperture (NA), and beam quality factor (M²) of laser beam delivered by the Chg AR-HCF were measured to be 0.031 and ∼1.2, respectively. It therefore shows great potential to use such a fiber to extend the application of high-power MIR laser delivery beyond 8 μm.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116844"},"PeriodicalIF":3.8,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143548929","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Photosensitive MIS structures based on GeSixOy films","authors":"G.A. Hamoud ,&nbsp;G.N. Kamaev ,&nbsp;M. Vergnat ,&nbsp;V.A. Volodin","doi":"10.1016/j.optmat.2025.116838","DOIUrl":"10.1016/j.optmat.2025.116838","url":null,"abstract":"<div><div>The structural and photosensitive properties of metal-insulator-semiconductor (MIS) structures based on germanosilicate (GeSi_xO_y) films, obtained by co-evaporation of silicon dioxide and germanium dioxide and deposited on a n-type silicon substrate with silicon oxide as a thin tunnel layer, have been studied. The responsivity properties of the MIS structures were obtained over a wide wavelength range from 278 to 1100 nm. The deposition of an additional 3–4 nm thick layer of amorphous germanium on the thin silicon oxide dielectric layer resulted in an increase in infrared responsivity. The proposed method for creating photosensitive MIS-structures based on GeSi_xO_y films is simple and avoids the formation of p-n junctions to create photodiodes.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116838"},"PeriodicalIF":3.8,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigations of two-step energy transfer process induced near-infrared quantum cutting in YNbO4: Er3+/Yb3+ phosphors","authors":"Yanqiu Zhang ,&nbsp;Zhouhua Peng ,&nbsp;Duan Gao ,&nbsp;Xuezhu Sha ,&nbsp;Xin Chen ,&nbsp;Yuhang Zhang ,&nbsp;Li Wang ,&nbsp;Xizhen Zhang ,&nbsp;Jinsu Zhang ,&nbsp;Yongze Cao ,&nbsp;Yichao Wang ,&nbsp;Xiangping Li ,&nbsp;Sai Xu ,&nbsp;Hongquan Yu ,&nbsp;Baojiu Chen","doi":"10.1016/j.optmat.2025.116842","DOIUrl":"10.1016/j.optmat.2025.116842","url":null,"abstract":"<div><div>Effective near-infrared (NIR) quantum cutting (QC) is extremely significant for light conversion materials used in silicon-based solar cells. Therefore, it is necessary to elucidate the mechanisms for the QC process in the light conversion materials. In view of that, a series of Er³⁺ single doped and Er³⁺/Yb³⁺ codoped YNbO₄ phosphors were prepared to explore the mechanisms for QC and further calculate the QC efficiency. At first, the QC mechanisms for Er³⁺/Yb³⁺ codoped YNbO₄ phosphors were investigated at length by analyzing the luminescent intensity of donor Er³⁺ and acceptor Yb³⁺ in visible and infrared spectra. Two-step energy transfer expressed as ET1: ⁴S_3/2+²F_7/2 → ⁴I_11/2 +²F_5/2 and ET2: ⁴I_11/2 + ²F_7/2 → ⁴I_15/2 + ²F_5/2 was discovered to be responsible for the QC behavior. Furthermore, the calculations of QC efficiency were carried out in the framework of the two-step energy transfer efficiencies based on Föster-Dexter theory, radiative transition rates based on Judd-Ofelt (J-O) theory, nonradiative relaxation rates between all 4<em>f</em> energy levels based on energy gap law and fluorescence lifetimes of relevant energy levels. The better QC efficiency was confirmed to be about 136 % in YNbO₄:1 mol% Er³⁺/20 mol% Yb³⁺ sample, thus indicating that YNbO₄: Er³⁺/Yb³⁺ phosphors are promising candidates in the light conversion materials.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116842"},"PeriodicalIF":3.8,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143511547","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Influence of defect removal on the optical properties of multilayer dielectric gratings during magnetic compound fluid polishing","authors":"Xiaolan Hong ,&nbsp;Chen Jiang ,&nbsp;Hui Ye ,&nbsp;Shiwei Xu ,&nbsp;Jinxing Jiang ,&nbsp;Laixi Sun","doi":"10.1016/j.optmat.2025.116843","DOIUrl":"10.1016/j.optmat.2025.116843","url":null,"abstract":"<div><div>The fabrication of multilayer dielectric gratings (MDGs) is a complex process that frequently results in microstructural defects, which can significantly degrade the performance of high-power laser systems. Magnetic compound fluid (MCF) post-processing has been shown to effectively mitigate these defects, reduce surface roughness, and improve the laser-induced damage threshold (LIDT) of MDGs. Through numerical simulations, the influences of defect removal depth on the optical performance of two common MDG types are studied. For ps-MDGs with a central wavelength of 1053 nm, it is found that maintaining defect depth below one-tenth of the grating ridge height preserves the optical performance after MCF treatment. Similarly, for fs-MDGs centered at 800 nm, keeping the defect depth below one-eighth of the grating ridge height ensures their suitability for pulse compression following MCF treatment. The study further examines the relationship between grating structural parameters and the allowable polishing removal depth, providing essential insights for optimizing MCF polishing processes to address microstructural defects in MDGs.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116843"},"PeriodicalIF":3.8,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143471548","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Penta-substituted arylbenzene derivatives as efficient hole-transporting materials","authors":"Oleksandr Bezvikonnyi ,&nbsp;Ranush Durgaryan ,&nbsp;Tomas Tamulevicius ,&nbsp;Dmytro Volyniuk ,&nbsp;Jurate Simokaitiene ,&nbsp;Boris Minaev ,&nbsp;Yan Danyliv ,&nbsp;Valentina Minaeva ,&nbsp;Shushanna Vardanyan ,&nbsp;Simas Macionis ,&nbsp;Juozas V. Grazulevicius","doi":"10.1016/j.optmat.2025.116834","DOIUrl":"10.1016/j.optmat.2025.116834","url":null,"abstract":"<div><div>Pentaarylbenzene was selected as an acceptor for the design and synthesis of a series of hole-transporting materials. Carbazole with and without <em>tert</em>-butyl groups and diphenylamine were used as the donor units. All the compounds of the series exhibit high thermal stability with 5 % weight loss temperatures higher than 400 °C. The compound containing diphenylamino groups forms amorphous films while carbazolyl-containing hole-transporters exhibit crystallinity. The photoluminescence spectra of the solutions of the carbazole derivatives show two peaks assigned to the local excited (LE) and charge transfer (CT) state emission. Meanwhile the spectrum of the compound with diphenylamino groups shows a single CT peak manifested by positive solvatochromism. The attachment of <em>tert</em>-butyl groups to carbazole moieties results in the elevated energy level of the highest occupied molecular orbital and enhanced drift mobility values of charge carriers up to 4 × 10⁻³ cm²/V‧s at an electric field of <em>ca.</em> 1.6 × 10⁵ V/cm. Cabrazole-based hole-transporters exhibit higher triplet energy of <em>ca.</em> 2.88 eV than the derivative of diphenylamine (2.8 eV). Nevertheless, due to the amorphous nature of the layers, the diphenylamino-containing compound shows good performance in organic light-emitting diodes utilizing an emitter exhibiting thermally activated delayed fluorescence. The device shows external quantum efficiency of 22 % at 1000 cd/m² and 19 % at 3000 cd/m².</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116834"},"PeriodicalIF":3.8,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143479061","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, optical, semiconducting and nonlinear optical properties of ethynylated-chalcones for optoelectronic interests","authors":"Mas Mohammed ,&nbsp;Wan M. Khairul ,&nbsp;Muhamad Fikri Zaini ,&nbsp;Suhana Arshad ,&nbsp;Abdul Razak Ibrahim ,&nbsp;Fazira Ilyana Abdul Razak ,&nbsp;Suhaila Sapari","doi":"10.1016/j.optmat.2025.116827","DOIUrl":"10.1016/j.optmat.2025.116827","url":null,"abstract":"<div><div>The development in finding the ideal candidates for an active component material in optoelectronics are rapidly growing in molecular electronics. Herein, conjugated ethynylated chalcones were designed and synthesized to address the limitation from the previously reported compounds which exhibited low luminescence properties. These chalcone derivatives were made up from substructures; an extended conjugated system (C<img>C) and a D-π-A system with different substituents. The π-conjugated system increases electron mobility, enhancing the luminescence properties of the molecules. In this contribution, two new ethynylated-chalcone derivatives, 3-(napthalen-1-yl)-1-[4-(4-(trifluoromethylphenyl) ethynyl]-2-propen-1-one (<strong>3-NTP</strong>) and 3-(4-(N-diphenylamino)phenyl)-1-[4-(4-(trifluoromethyl phenyl]-2-propen-1-one (<strong>3-DTP</strong>) have been synthesized and crystallized as building block in molecular electronics. These targeted compounds were synthesized via Claisen Schmidt condensation reaction. The crystal structures were determined using single-crystal XRD method in monoclinic and triclinic containing the space group of <em>P</em>2₁/<em>c</em> and includes four molecules within a unit cell. The structures were confirmed by experimental approach FTIR, NMR spectra and UV–visible spectra. Based on the observed thermal stability values up to 300 <span><math><mrow><mo>°C</mo></mrow></math></span> which meet the required laser damage threshold, this analysis suggests that the prepared materials are promising for NLO application. HOMO-LUMO energy band gap, molecular electrostatic potential (MEP), and polarizability were calculated theoretically via DFT method. Total first hyperpolarizability <em>β</em>_<em>tot</em> of <strong>3-NTP</strong> and <strong>3-DTP</strong> are 192.8 <span><math><mrow><mo>×</mo></mrow></math></span> 10⁻³⁰ esu and 4776.2 <span><math><mrow><mo>×</mo></mrow></math></span> 10⁻³⁰ esu which can be applied as ideal nonlinear optical materials. Indeed, these molecules can be potentially used as electronic devices in the future due to the fact that they exhibit good optical properties.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116827"},"PeriodicalIF":3.8,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143508918","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Structural, optical and electrical properties of Eu doped sodium borosilicate and lead silicate glasses","authors":"Mevlut Karabulut ,&nbsp;Ali Kemal Mak ,&nbsp;Razvan Stefan ,&nbsp;Arijeta Bafti ,&nbsp;Marija Mirosavljević ,&nbsp;Luka Pavić","doi":"10.1016/j.optmat.2025.116833","DOIUrl":"10.1016/j.optmat.2025.116833","url":null,"abstract":"<div><div>Structural, electrical and luminescence properties of sodium borosilicate and sodium lead borosilicate glasses prepared by conventional melt quenching method were investigated through XRD, FT-IR, EDS, luminescence, and electrical measurements. All compositions were X-ray amorphous. The FT-IR analysis showed variations in the glass network upon changing the SiO₂ content in the compositions. Excitation spectra of glasses in both series consisted of several excitation peaks between 350 and 550 nm corresponding to <em>4f-4f</em> transitions of Eu³⁺. The luminescence spectra of glasses in both series consist of peaks in the 560–700 nm interval corresponding to 4f-4f transitions of Eu³⁺ (<span><math><mrow><mn>5</mn><msub><mi>D</mi><mn>0</mn></msub><msup><mo>⟶</mo><mn>7</mn></msup><msub><mi>F</mi><mi>j</mi></msub></mrow></math></span>). Increasing Na₂O content enhanced the DC conductivity in both sodium borosilicate and sodium lead borosilicate glass series. Sodium lead borosilicate glasses exhibited a linear relationship between Na ⁺ ion concentration and conductivity, with the highest value of 1.40 × 10⁻⁶ (Ω cm)⁻¹ at 150 °C for 40 mol% Na₂O. In contrast, sodium borosilicate glasses showed a non-linear trend which could be related to the mixed glass-former effect, with 30 mol% Na₂O exhibiting the highest conductivity of 2.55 × 10⁻⁸ (Ω cm)⁻¹ at 150 °C, highlighting the impact of structural changes on ion mobility. The scaling analysis confirmed that temperature influences charge carrier dynamics without changing the conduction mechanism. The characteristic hopping length of mobile ions decreased as Na₂O content increased, aligning with the observed trends in conductivity.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116833"},"PeriodicalIF":3.8,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143454839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"A comprehensive exploration of optical properties of GdAlO3: Cr3+","authors":"H. Souissi ,&nbsp;S. Kammoun ,&nbsp;E. Dhahri ,&nbsp;J. Pina ,&nbsp;B.F.O. Costa ,&nbsp;A.L.B. Brito ,&nbsp;R. Fausto","doi":"10.1016/j.optmat.2025.116841","DOIUrl":"10.1016/j.optmat.2025.116841","url":null,"abstract":"<div><div>This study focused on the optical properties of the Cr³⁺-doped GdAlO₃ perovskite, through comprehensive analysis of its photoluminescence spectra. The GdAlO₃: Cr³⁺ perovskite, synthesized by a traditional solid-state process, crystallizes in the orthorhombic <em>Pbnm</em> space group, with Cr³⁺ ions substituting Al³⁺ ions in octahedral sites. Photoluminescence excitation and emission spectra of the material were obtained and assigned. The zero-phonon lines ZPL of the observed emission and excitation transitions associated with the Cr³⁺ ions, in the visible range, were determined, and the experimental spectral data were modelled by the Fourier transformation of the autocorrelation function, enabling the calculation of diabatic potential energy profiles for the ground and lowest energy excited states. Crystal field parameters were derived, providing insight into the electronic structure of Cr³⁺ in the O_h symmetry site. The results highlighted the significant impact of coordination on the electronic structure of Cr³⁺ ions, with a notably high nephelauxetic effect parameter (h = 1.44), indicating a high degree of covalency in the metal-ligand bonds. Energy transfer from Gd³⁺ to Cr³⁺ in GdAlO₃: Cr³⁺ was found to be significant, contributing to the enhancement of the deep-red emission of the compound attributed to the ²E_g(²G) → ⁴A_2g(⁴F) d-d transition of Cr³⁺. Finally, the CIE 1931 chromaticity coordinates of the photoluminescence emission of GdAlO₃:Cr³⁺ were determined, positioning the emission at the boundary of the chromaticity diagram, indicative of its high color purity and potential suitability for red light-emitting display applications.</div></div>","PeriodicalId":19564,"journal":{"name":"Optical Materials","volume":"162 ","pages":"Article 116841"},"PeriodicalIF":3.8,"publicationDate":"2025-02-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143464745","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}