Pub Date : 2026-01-01DOI: 10.1016/j.omx.2025.100426
Sergey Kh. Batygov , Liudmila V. Moiseeva , Valeria V. Vinokurova , Leonid A. Vaimugin , Maria N. Brekhovskikh
Ce3+ luminescence was studied in a flurozirconate glass in the ZrF4–BaF2–LaF3–AlF3–NaF (ZBLAN) and in a fluorohafnate HfF4-BaF2-LaF3-AlF3-NaF (HBLAN) glass systems under X-ray and UV excitation. Ce3+ luminescence temperature quenching in glasses in the temperature range 77–300 K was observed. The Ce3+ luminescence quenching in ZBLAN glass host is conditioned by two mechanisms: via the electrons ionization from the excited 5d-level of Ce3+ into the conduction band (CB); and quenching as a result of the intersection of the Ce3+ ground state and excited state potential curves. In HBLAN glass host the luminescence quenching is caused by the intersection of the Ce3+ ground state and excited state potential curves in the temperature range 77–300 K. The activation energies of Ce3+ luminescence quenching in ZBLAN and HBLAN have been determined.
{"title":"Luminescence investigations of Ce3+-doped fluorozirconate and fluorohafnate glass phosphors","authors":"Sergey Kh. Batygov , Liudmila V. Moiseeva , Valeria V. Vinokurova , Leonid A. Vaimugin , Maria N. Brekhovskikh","doi":"10.1016/j.omx.2025.100426","DOIUrl":"10.1016/j.omx.2025.100426","url":null,"abstract":"<div><div>Ce<sup>3+</sup> luminescence was studied in a flurozirconate glass in the ZrF<sub>4</sub>–BaF<sub>2</sub>–LaF<sub>3</sub>–AlF<sub>3</sub>–NaF (ZBLAN) and in a fluorohafnate HfF<sub>4</sub>-BaF<sub>2</sub>-LaF<sub>3</sub>-AlF<sub>3</sub>-NaF (HBLAN) glass systems under X-ray and UV excitation. Ce<sup>3+</sup> luminescence temperature quenching in glasses in the temperature range 77–300 K was observed. The Ce<sup>3+</sup> luminescence quenching in ZBLAN glass host is conditioned by two mechanisms: via the electrons ionization from the excited 5d-level of Ce<sup>3+</sup> into the conduction band (CB); and quenching as a result of the intersection of the Ce<sup>3+</sup> ground state and excited state potential curves. In HBLAN glass host the luminescence quenching is caused by the intersection of the Ce<sup>3+</sup> ground state and excited state potential curves in the temperature range 77–300 K. The activation energies of Ce<sup>3+</sup> luminescence quenching in ZBLAN and HBLAN have been determined.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"29 ","pages":"Article 100426"},"PeriodicalIF":0.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145981707","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
We report a first-principles investigation of the structural, electronic, and optical properties of NaBiXY (X, YS, Se, Te) ternary chalcogenides, with a focus on optical anisotropy and pressure response. Total energy and formation energy calculations reveal that all compounds, except NaBiS2 and NaBiSe2, favor a trigonal crystal structure over the cubic NaCl-type phase. All systems exhibit indirect band gaps, with values tunable through chalcogen substitution. NaBiTe2 presents the smallest gap, while NaBiSeS has the largest. Band gap variation under hydrostatic pressure is nearly linear across the series. Optical property analysis shows pronounced dielectric anisotropy, particularly in the low-energy region below 6 eV, with the in-plane component () exceeding the out-of-plane component (). Substituting Te with Se or S shifts the primary peaks of the dielectric function to higher photon energies with reduced intensity. The optical spectra remain stable under moderate pressure, highlighting environmental robustness. These results identify NaBiXY compounds as promising pressure-resilient and compositionally tunable semiconductors with directional optical behavior, suitable for future photonic and optoelectronic applications
我们报道了NaBiXY （X， YS, Se, Te）三元硫属化合物的结构，电子和光学性质的第一性原理研究，重点研究了光学各向异性和压力响应。总能和生成能计算表明，除NaBiS2和NaBiSe2外，所有化合物均倾向于立方氯化钠型相的三角晶体结构。所有的体系都表现出间接带隙，其值可通过硫代调节。NaBiTe2的间隙最小，而NaBiSeS的间隙最大。静水压力作用下的带隙变化在整个序列上几乎呈线性变化。光学性质分析表明，介质各向异性明显，特别是在6 eV以下的低能区，面内分量（εxx）大于面外分量（εzz）。用Se或S代替Te，使介电函数的主要峰向强度降低的较高光子能量偏移。光谱在中等压力下保持稳定，突出了环境鲁棒性。这些结果确定NaBiXY化合物是有前途的具有定向光学行为的压力弹性和成分可调半导体，适用于未来的光子和光电子应用
{"title":"Pressure-stable optical anisotropy and band gap tunability in NaBi(S,Se,Te)2 and mixed-chalcogen NaBiXY compounds","authors":"Ayad Hatim Karim , Zahra Nourbakhsh , Aminollah Vaez , Daryoosh Vashaee","doi":"10.1016/j.omx.2025.100433","DOIUrl":"10.1016/j.omx.2025.100433","url":null,"abstract":"<div><div>We report a first-principles investigation of the structural, electronic, and optical properties of NaBiXY (X, Y<img>S, Se, Te) ternary chalcogenides, with a focus on optical anisotropy and pressure response. Total energy and formation energy calculations reveal that all compounds, except NaBiS<sub>2</sub> and NaBiSe<sub>2</sub>, favor a trigonal crystal structure over the cubic NaCl-type phase. All systems exhibit indirect band gaps, with values tunable through chalcogen substitution. NaBiTe<sub>2</sub> presents the smallest gap, while NaBiSeS has the largest. Band gap variation under hydrostatic pressure is nearly linear across the series. Optical property analysis shows pronounced dielectric anisotropy, particularly in the low-energy region below 6 eV, with the in-plane component (<span><math><mrow><msub><mi>ε</mi><mrow><mi>x</mi><mi>x</mi></mrow></msub></mrow></math></span>) exceeding the out-of-plane component (<span><math><mrow><msub><mi>ε</mi><mrow><mi>z</mi><mi>z</mi></mrow></msub></mrow></math></span>). Substituting Te with Se or S shifts the primary peaks of the dielectric function to higher photon energies with reduced intensity. The optical spectra remain stable under moderate pressure, highlighting environmental robustness. These results identify NaBiXY compounds as promising pressure-resilient and compositionally tunable semiconductors with directional optical behavior, suitable for future photonic and optoelectronic applications</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"29 ","pages":"Article 100433"},"PeriodicalIF":0.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145929051","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.omx.2025.100424
Syed Muhammad Kazim Abbas Naqvi , Aleesha Ali , Zahid Nazir , Faheem Abbas , Mubashir Nazar , Yanan Zhu , Shuai Chang
The electronic structure, charge transport, and excitonic properties of organic molecules critically govern their performance in organic light-emitting diodes (OLEDs). Here, we report a systematic density functional theory (DFT) study of 55 derivatives of 4,4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP), functionalized by attaching eleven electron-donating and electron-withdrawing substituents at five distinct positions. Fundamental parameters including bandgap, ionization potential, electron affinity, quantum chemical reactivity descriptors, optical absorption, and exciton binding energies (EBEs) were rigorously evaluated. This work demonstrates that substituent identity and attachment position significantly influence molecular optoelectronic characteristics. Notably, benzo[c][1,2,5]thiadiazole substitution at the carbazole site provided an optimal bandgap (2.99 eV), low EBE (0.38 eV), and visible-range absorption (∼476 nm), ideal for emissive-layer applications. TCNQ attached at the biphenyl core exhibited the smallest bandgap (0.856 eV), highest electron affinity (4.86 eV), and maximum softness, highlighting excellent electron-transporting capabilities. Furthermore, 1,4-dicyanobenzene substitution at the biphenyl position combined balanced reactivity with electronic stability, suitable as a phosphorescent OLED host. Corroborated by Density of States profiles, molecular electrostatic potentials, and UV-Vis spectra, this work provides valuable design principles for developing next-generation high-performance OLED materials.
{"title":"Virtual screening of CBP derivatives for OLED applications towards evaluation of substitution effects on electronic and optical properties","authors":"Syed Muhammad Kazim Abbas Naqvi , Aleesha Ali , Zahid Nazir , Faheem Abbas , Mubashir Nazar , Yanan Zhu , Shuai Chang","doi":"10.1016/j.omx.2025.100424","DOIUrl":"10.1016/j.omx.2025.100424","url":null,"abstract":"<div><div>The electronic structure, charge transport, and excitonic properties of organic molecules critically govern their performance in organic light-emitting diodes (OLEDs). Here, we report a systematic density functional theory (DFT) study of 55 derivatives of 4,4′-bis(N-carbazolyl)-1,1′-biphenyl (CBP), functionalized by attaching eleven electron-donating and electron-withdrawing substituents at five distinct positions. Fundamental parameters including bandgap, ionization potential, electron affinity, quantum chemical reactivity descriptors, optical absorption, and exciton binding energies (EBEs) were rigorously evaluated. This work demonstrates that substituent identity and attachment position significantly influence molecular optoelectronic characteristics. Notably, benzo[c][1,2,5]thiadiazole substitution at the carbazole site provided an optimal bandgap (2.99 eV), low EBE (0.38 eV), and visible-range absorption (∼476 nm), ideal for emissive-layer applications. TCNQ attached at the biphenyl core exhibited the smallest bandgap (0.856 eV), highest electron affinity (4.86 eV), and maximum softness, highlighting excellent electron-transporting capabilities. Furthermore, 1,4-dicyanobenzene substitution at the biphenyl position combined balanced reactivity with electronic stability, suitable as a phosphorescent OLED host. Corroborated by Density of States profiles, molecular electrostatic potentials, and UV-Vis spectra, this work provides valuable design principles for developing next-generation high-performance OLED materials.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"29 ","pages":"Article 100424"},"PeriodicalIF":0.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145981604","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-01DOI: 10.1016/j.omx.2025.100432
M.P. Plokker , S.W. Bergkamp , H.T. Hintzen
The energy transfer from Tm2+ to Tm3+, which has not yet been reported before, has now been observed for the first time. It was found that orthorhombic BaCl2:Tm2+,Tm3+ with the PbCl2 cotunnite structure shows the luminescence properties to enable Tm2+→Tm3+ energy transfer. Evaluation of the luminescence properties of BaCl2:Tm2+,Tm3+ in detail and other Tm2+/Tm3+-activated phosphors in general makes clear that the conditions for Tm2+→Tm3+ energy transfer are a strong overlap of the Tm2+ spin-allowed 4f125d1→4f13 emission with Tm3+3H6→3F3 or 3H6→3H4 (4f12→4f12) excitations or overlap of the Tm2+ spin-forbidden 4f125d1→4f13 emission with Tm3+3H6→3H4 (4f12→4f12) excitation, resulting in both cases in interconfigurational transitions, while the Tm2+ spin-allowed 4f125d1→4f13 emission should not overlap with the Tm2+ spin-forbidden 4f13→4f125d1 excitation. In addition, the Tm2+-Tm3+ distance has to be small, preferably for a high Tm2+ concentration to increase the absorption of excitation radiation in combination with a low Tm3+ concentration in order to avoid concentration quenching of the luminescence. Finally, implications of Tm2+→Tm3+ energy transfer for applications such as luminescent solar concentrators are discussed.
{"title":"Evidence for Tm2+→Tm3+ energy transfer in Tm-doped BaCl2 for potential use in opto-electronic devices","authors":"M.P. Plokker , S.W. Bergkamp , H.T. Hintzen","doi":"10.1016/j.omx.2025.100432","DOIUrl":"10.1016/j.omx.2025.100432","url":null,"abstract":"<div><div>The energy transfer from Tm<sup>2+</sup> to Tm<sup>3+</sup>, which has not yet been reported before, has now been observed for the first time. It was found that orthorhombic BaCl<sub>2</sub>:Tm<sup>2+</sup>,Tm<sup>3+</sup> with the PbCl<sub>2</sub> cotunnite structure shows the luminescence properties to enable Tm<sup>2+</sup>→Tm<sup>3+</sup> energy transfer. Evaluation of the luminescence properties of BaCl<sub>2</sub>:Tm<sup>2+</sup>,Tm<sup>3+</sup> in detail and other Tm<sup>2+</sup>/Tm<sup>3+</sup>-activated phosphors in general makes clear that the conditions for Tm<sup>2+</sup>→Tm<sup>3+</sup> energy transfer are a strong overlap of the Tm<sup>2+</sup> spin-allowed 4f<sup>12</sup>5d<sup>1</sup>→4f<sup>13</sup> emission with Tm<sup>3+</sup> <sup>3</sup>H<sub>6</sub>→<sup>3</sup>F<sub>3</sub> or <sup>3</sup>H<sub>6</sub>→<sup>3</sup>H<sub>4</sub> (4f<sup>12</sup>→4f<sup>12</sup>) excitations or overlap of the Tm<sup>2+</sup> spin-forbidden 4f<sup>12</sup>5d<sup>1</sup>→4f<sup>13</sup> emission with Tm<sup>3+</sup> <sup>3</sup>H<sub>6</sub>→<sup>3</sup>H<sub>4</sub> (4f<sup>12</sup>→4f<sup>12</sup>) excitation, resulting in both cases in interconfigurational transitions, while the Tm<sup>2+</sup> spin-allowed 4f<sup>12</sup>5d<sup>1</sup>→4f<sup>13</sup> emission should not overlap with the Tm<sup>2+</sup> spin-forbidden 4f<sup>13</sup>→4f<sup>12</sup>5d<sup>1</sup> excitation. In addition, the Tm<sup>2+</sup>-Tm<sup>3+</sup> distance has to be small, preferably for a high Tm<sup>2+</sup> concentration to increase the absorption of excitation radiation in combination with a low Tm<sup>3+</sup> concentration in order to avoid concentration quenching of the luminescence. Finally, implications of Tm<sup>2+</sup>→Tm<sup>3+</sup> energy transfer for applications such as luminescent solar concentrators are discussed.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"29 ","pages":"Article 100432"},"PeriodicalIF":0.0,"publicationDate":"2026-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146039177","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-08-01DOI: 10.1016/j.omx.2025.100414
Xiaowu Hu , Fabio Piccinelli , Silvia Ruggieri , Pablo Camarero Linares , Patricia Haro , Marco Bettinelli
{"title":"Corrigendum to “Energy transfer processes leading to strong NIR-to-red upconversion in the Yb-concentrated Sr3Yb0.98Er0.02(PO4)3 eulytite” [Opt. Mater.: X 24 (2024) 100358–100364]","authors":"Xiaowu Hu , Fabio Piccinelli , Silvia Ruggieri , Pablo Camarero Linares , Patricia Haro , Marco Bettinelli","doi":"10.1016/j.omx.2025.100414","DOIUrl":"10.1016/j.omx.2025.100414","url":null,"abstract":"","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"28 ","pages":"Article 100414"},"PeriodicalIF":0.0,"publicationDate":"2025-08-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145685871","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This study shows the modification of photoluminescent properties (PL) of red-emitting β-Ca3(PO4)2-type (β-TCP) phosphor through anionic sublattice substitution. A new series of Eu3+-activated Ca9La(PO4)7(1–x)(VO4)7x were synthesized using the solid-state method. X-ray powder diffraction study shows that all sample have β-TCP structure, however the differences in symmetry between the samples was found by second harmonic generation method. The unusual centrosymmetric structure appeared at 0.2 ≤ x ≤ 0.5 in Ca9La(PO4)7(1–x)(VO4)7x:Eu3+. Study of the series' photoluminescence properties revealed significant improvement in Eu3+-emission intensity for centrosymmetric samples. The PO4 ↔ VO4 substitution at 0.2 ≤ x ≤ 0.5 resulted in a 1.6-fold enhancement of Eu3+ photoluminescent properties. The emission intensity changes correspond to variations in the anionic part of the structure while maintaining constant activator concentration. The optical band-gap of the synthesized phosphors was estimated at ∼3 eV. Characteristic lifetimes decreased from 1.796 to 0.538 ms with increasing VO4 content. Quantum yields reached 34 % with just 1 mol.% of Eu3+. The crystal structure variation proposed here serves as an effective tool for improving photoluminescence properties of rare-earth ions.
{"title":"New type of symmetry inhomogeneity in β-TCP-type phosphors: symmetrical features of mixed oxysalts","authors":"I.V. Nikiforov , V.V. Titkov , E.S. Zhukovskaya , M.M. Klimenko , E.A. Pankrushina , А.А. Vasin , D.V. Deyneko","doi":"10.1016/j.omx.2025.100421","DOIUrl":"10.1016/j.omx.2025.100421","url":null,"abstract":"<div><div>This study shows the modification of photoluminescent properties (PL) of red-emitting β-Ca<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub>-type (β-TCP) phosphor through anionic sublattice substitution. A new series of Eu<sup>3+</sup>-activated Ca<sub>9</sub>La(PO<sub>4</sub>)<sub>7(1–<em>x</em>)</sub>(VO<sub>4</sub>)<sub>7<em>x</em></sub> were synthesized using the solid-state method. X-ray powder diffraction study shows that all sample have β-TCP structure, however the differences in symmetry between the samples was found by second harmonic generation method. The unusual centrosymmetric structure appeared at 0.2 ≤ <em>x</em> ≤ 0.5 in Ca<sub>9</sub>La(PO<sub>4</sub>)<sub>7(1–<em>x</em>)</sub>(VO<sub>4</sub>)<sub>7<em>x</em></sub>:Eu<sup>3+</sup>. Study of the series' photoluminescence properties revealed significant improvement in Eu<sup>3+</sup>-emission intensity for centrosymmetric samples. The PO<sub>4</sub> ↔ VO<sub>4</sub> substitution at 0.2 ≤ <em>x</em> ≤ 0.5 resulted in a 1.6-fold enhancement of Eu<sup>3+</sup> photoluminescent properties. The emission intensity changes correspond to variations in the anionic part of the structure while maintaining constant activator concentration. The optical band-gap of the synthesized phosphors was estimated at ∼3 eV. Characteristic lifetimes decreased from 1.796 to 0.538 ms with increasing VO<sub>4</sub> content. Quantum yields reached 34 % with just 1 mol.% of Eu<sup>3+</sup>. The crystal structure variation proposed here serves as an effective tool for improving photoluminescence properties of rare-earth ions.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"27 ","pages":"Article 100421"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144887428","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-07-01DOI: 10.1016/j.omx.2025.100420
Samuel M. Linser , Shivashankar R. Vangala , Harris J. Hall , Duane Brinegar , Timothy A. Prusnick , Vladimir L. Tassev
We report on nanoindentation measurements of hydride vapor phase epitaxy (HVPE) grown Gallium Arsenide Phosphide (GaAs1-xPx) epilayers, of interest for generation of mid-infrared wavelengths via frequency conversion. Our results indicate a linear trend in Young's modulus with increasing phosphorus content (P-content), in keeping with Vegard's Law for ternary compounds. The corresponding data for hardness demonstrate significant bowing with a peak of 10.7 GPa occurring at 78 % P-content. Some epilayers exhibit non-negligible spatial variation in their mechanical properties, which is investigated with complementary measurements. Photoluminescence measurements indicate high composition uniformity, while atomic force microscopy reveals a direct correlation between surface roughness and mechanical variability. Preliminary laser-induced damage threshold (LIDT) results are reported, and the implications for material optimization are discussed. With a 1070-nm continuous wave laser, GaAs0.75P0.25 and GaAs0.52P0.48 epilayers demonstrated LID thresholds of 600 kW/cm2 and 300 kW/cm2, respectively.
{"title":"Surface mechanics of GaAsP/GaAs epilayers for non-linear optical devices","authors":"Samuel M. Linser , Shivashankar R. Vangala , Harris J. Hall , Duane Brinegar , Timothy A. Prusnick , Vladimir L. Tassev","doi":"10.1016/j.omx.2025.100420","DOIUrl":"10.1016/j.omx.2025.100420","url":null,"abstract":"<div><div>We report on nanoindentation measurements of hydride vapor phase epitaxy (HVPE) grown Gallium Arsenide Phosphide (GaAs<sub>1-x</sub>P<sub>x</sub>) epilayers, of interest for generation of mid-infrared wavelengths via frequency conversion. Our results indicate a linear trend in Young's modulus with increasing phosphorus content (P-content), in keeping with Vegard's Law for ternary compounds. The corresponding data for hardness demonstrate significant bowing with a peak of 10.7 GPa occurring at 78 % P-content. Some epilayers exhibit non-negligible spatial variation in their mechanical properties, which is investigated with complementary measurements. Photoluminescence measurements indicate high composition uniformity, while atomic force microscopy reveals a direct correlation between surface roughness and mechanical variability. Preliminary laser-induced damage threshold (LIDT) results are reported, and the implications for material optimization are discussed. With a 1070-nm continuous wave laser, GaAs<sub>0.75</sub>P<sub>0.25</sub> and GaAs<sub>0.52</sub>P<sub>0.48</sub> epilayers demonstrated LID thresholds of 600 kW/cm<sup>2</sup> and 300 kW/cm<sup>2</sup>, respectively.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"27 ","pages":"Article 100420"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144536184","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-07-01DOI: 10.1016/j.omx.2025.100419
I. Aulika, P. Paulsone, J. Butikova, K.A. Štucere, A. Vembris
In this study, spectroscopic ellipsometry was employed to characterize the optical properties of 19 different organic thin films used in the fabrication of organic light-emitting diodes (OLEDs). The films were deposited via thermal evaporation onto quartz and soda lime float glass substrates coated with a SiO2 buffer layer and indium tin oxide (ITO). The analysis included a range of organic compounds, from widely studied materials such as CBP (4,4′-Bis(N-carbazolyl)-1,1′-biphenyl) to less-explored compounds such as TAZ (3-(Biphenyl-4-yl)-5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole), PO-T2T ((1,3,5-Triazine-2,4,6-triyl)tris(benzene-3,1-diyl)tris(diphenylphosphine oxide)), CzSi (9-(4-tert-butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole), and NBphen (2,9-Dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline). Attention was given to the influence of substrate material on the complex refractive index - specifically, the refractive index (n) and extinction coefficient (k) - across a broad spectral range (210–1690 nm, 0.7–5.9 eV). The results reveal critical insights into substrate-dependent variations, including the presence of refractive index gradients and anisotropic optical behavior in selected organic thin films.
{"title":"Comprehensive optical characterization of organic thin films for OLED applications via spectroscopic ellipsometry","authors":"I. Aulika, P. Paulsone, J. Butikova, K.A. Štucere, A. Vembris","doi":"10.1016/j.omx.2025.100419","DOIUrl":"10.1016/j.omx.2025.100419","url":null,"abstract":"<div><div>In this study, spectroscopic ellipsometry was employed to characterize the optical properties of 19 different organic thin films used in the fabrication of organic light-emitting diodes (OLEDs). The films were deposited via thermal evaporation onto quartz and soda lime float glass substrates coated with a SiO<sub>2</sub> buffer layer and indium tin oxide (ITO). The analysis included a range of organic compounds, from widely studied materials such as CBP (4,4′-Bis(N-carbazolyl)-1,1′-biphenyl) to less-explored compounds such as TAZ (3-(Biphenyl-4-yl)-5-(4-<em>tert</em>-butylphenyl)-4-phenyl-4H-1,2,4-triazole), PO-T2T ((1,3,5-Triazine-2,4,6-triyl)tris(benzene-3,1-diyl)tris(diphenylphosphine oxide)), CzSi (9-(4-<em>tert</em>-butylphenyl)-3,6-bis(triphenylsilyl)-9H-carbazole), and NBphen (2,9-Dinaphthalen-2-yl-4,7-diphenyl-1,10-phenanthroline). Attention was given to the influence of substrate material on the complex refractive index - specifically, the refractive index (<em>n</em>) and extinction coefficient (<em>k</em>) - across a broad spectral range (210–1690 nm, 0.7–5.9 eV). The results reveal critical insights into substrate-dependent variations, including the presence of refractive index gradients and anisotropic optical behavior in selected organic thin films.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"27 ","pages":"Article 100419"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144589289","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-07-01DOI: 10.1016/j.omx.2025.100425
Elizaveta V. Durova , Rostislav R. Shulepov , Vadim A. Baigildin , Mikhail A. Kinzhalov , Mikhail P. Kurlykin , Viktor V. Sokolov , Sergey P. Tunik
A series of Pt(II) N^N^C pincer complexes bearing isocyanide-styrene ligand in the fourth position was synthesized and their photophysics was studied in detail. In solution the complexes exhibit phosphorescence from 3MLCT excited state, whereas in solid state due to crystal packing effects all but one complexes display 3MMLCT emission accompanied by a considerable red shift of emission band, which may be ascribed to formation of binary aggregates with short Pt–Pt contacts. The styrene function of the isocyanide ligand allows complexes copolymerizing with polyvinylpyrrolidone via RAFT chemistry to give amphiphilic block copolymers with the hydrophobic block consisting of a few “back-to-back” copolymerized platinum complexes. In organic solvent, the copolymers exist as isolated molecular entities showing a limited intramolecular aggregation of the platinum chromophores analogous to their behavior in the solid state. On the contrary, in aqueous media hydrophobicity of the platinum containing blocks provokes formation of micellar type nanospecies, demonstrating intermolecular aggregation of the platinum chromophores with tighter contacts of the platinum centers and multiple character of the aggregates. This behavior results in much stronger red shift of emission into NIR area that makes the copolymers promising for application in biological experiments as NIR emitting probes.
{"title":"Design and preparation of water soluble NIR emitters based on isocyanide pincer Pt(II) complexes copolymerized with polyvinylpyrrolidon","authors":"Elizaveta V. Durova , Rostislav R. Shulepov , Vadim A. Baigildin , Mikhail A. Kinzhalov , Mikhail P. Kurlykin , Viktor V. Sokolov , Sergey P. Tunik","doi":"10.1016/j.omx.2025.100425","DOIUrl":"10.1016/j.omx.2025.100425","url":null,"abstract":"<div><div>A series of Pt(II) N^N^C pincer complexes bearing isocyanide-styrene ligand in the fourth position was synthesized and their photophysics was studied in detail. In solution the complexes exhibit phosphorescence from <sup>3</sup>MLCT excited state, whereas in solid state due to crystal packing effects all but one complexes display <sup>3</sup>MMLCT emission accompanied by a considerable red shift of emission band, which may be ascribed to formation of binary aggregates with short Pt–Pt contacts. The styrene function of the isocyanide ligand allows complexes copolymerizing with polyvinylpyrrolidone <em>via</em> RAFT chemistry to give amphiphilic block copolymers with the hydrophobic block consisting of a few “back-to-back” copolymerized platinum complexes. In organic solvent, the copolymers exist as isolated molecular entities showing a limited intramolecular aggregation of the platinum chromophores analogous to their behavior in the solid state. On the contrary, in aqueous media hydrophobicity of the platinum containing blocks provokes formation of micellar type nanospecies, demonstrating intermolecular aggregation of the platinum chromophores with tighter contacts of the platinum centers and multiple character of the aggregates. This behavior results in much stronger red shift of emission into NIR area that makes the copolymers promising for application in biological experiments as NIR emitting probes.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"27 ","pages":"Article 100425"},"PeriodicalIF":0.0,"publicationDate":"2025-07-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145622922","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2025-05-24DOI: 10.1016/j.omx.2025.100416
K. Shunkeyev, Sh Sagimbayeva, A. Kenzhebayeva
Drastic changes in the spectra of X-ray luminescence have been detected in pure RbI and KI single crystals exposed to uniaxial elastic deformation at 85 K. The intensity of both the σ-component of self-trapped exciton (STE) emission (maxima at 4.2 and 3.9 eV in RbI and KI, respectively) and the co-called Ex-luminescence (peaked at 3.05 eV in RbI and at 3.1 eV in KI) linearly increases with relative degree of deformation up to ε ≈ 1 %. The similarity of the dependence I = f(ε) for both emissions confirms the intrinsic origin of the Ex-luminescence in KI and RbI. Using a KI:Tl crystal as an example, it has been shown that low-temperature uniaxial elastic deformation causes a reduction in the mean free path of anion excitons, and, in turn, increases the efficiency of their self-trapping at regular lattice sites and subsequent radiative decay of STEs.
{"title":"Deformation-induced enhancement of Ex-emission in RbI and KI single crystals","authors":"K. Shunkeyev, Sh Sagimbayeva, A. Kenzhebayeva","doi":"10.1016/j.omx.2025.100416","DOIUrl":"10.1016/j.omx.2025.100416","url":null,"abstract":"<div><div>Drastic changes in the spectra of X-ray luminescence have been detected in pure RbI and KI single crystals exposed to uniaxial elastic deformation at 85 K. The intensity of both the <em>σ-</em>component of self-trapped exciton (STE) emission (maxima at 4.2 and 3.9 eV in RbI and KI, respectively) and the co-called <em>E</em><sub>x</sub>-luminescence (peaked at 3.05 eV in RbI and at 3.1 eV in KI) linearly increases with relative degree of deformation up to <em>ε</em> ≈ 1 %. The similarity of the dependence <em>I = f(ε)</em> for both emissions confirms the intrinsic origin of the <em>E</em><sub>x</sub>-luminescence in KI and RbI. Using a KI:Tl crystal as an example, it has been shown that low-temperature uniaxial elastic deformation causes a reduction in the mean free path of anion excitons, and, in turn, increases the efficiency of their self-trapping at regular lattice sites and subsequent radiative decay of STEs.</div></div>","PeriodicalId":52192,"journal":{"name":"Optical Materials: X","volume":"27 ","pages":"Article 100416"},"PeriodicalIF":0.0,"publicationDate":"2025-05-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144212175","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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