Pub Date : 2026-01-23DOI: 10.1016/j.physb.2026.418313
Sami A. Al-Hussain , Magdy A. Ibrahim , Arafat Toghan , Al-Shimaa Badran , N. Roushdy , Ayman M. Mostafa , Emad M. Masoud , A.A.M. Farag
This study presents a comprehensive evaluation of the novel pyranoquinoline derivative BEHPQ as an active material for optoelectronic devices through structural, morphological, thermal, optical, and electrical analyses. Scanning electron microscopy revealed a hierarchically organized surface with 2–5 μm aggregates and nanoscale roughness (10–12 nm), features that enhance light scattering and charge transport. Thermogravimetric analysis confirmed thermal stability up to 260 °C, supporting its suitability for solution-based processing. Optical measurements revealed a direct bandgap of 2.69 eV, strong UV–visible absorption (323–518 nm), and dual photoluminescence emissions associated with π–π∗ transitions and intramolecular charge transfer. Au/BEHPQ/n-Si heterojunction devices fabricated under ambient conditions exhibited strong optoelectronic performance, including a responsivity of 2.4 × 1010 A/W, detectivity of 3.0 × 1010 Jones, and open-circuit voltage of 0.45 V under 80 mW/cm2 illumination, with favorable resistance values. These results underscore BEHPQ's promise as a versatile, solution-processable semiconductor for efficient visible-light photodetectors and hybrid photovoltaic systems.
{"title":"Fabrication and exploration of illumination intensity effects on the optoelectronic and solar cell properties of a novel benzothiazole based pyrano[3,2-c]quinoline (BEHPQ): Experimental and DFT approaches","authors":"Sami A. Al-Hussain , Magdy A. Ibrahim , Arafat Toghan , Al-Shimaa Badran , N. Roushdy , Ayman M. Mostafa , Emad M. Masoud , A.A.M. Farag","doi":"10.1016/j.physb.2026.418313","DOIUrl":"10.1016/j.physb.2026.418313","url":null,"abstract":"<div><div>This study presents a comprehensive evaluation of the novel pyranoquinoline derivative <strong>BEHPQ</strong> as an active material for optoelectronic devices through structural, morphological, thermal, optical, and electrical analyses. Scanning electron microscopy revealed a hierarchically organized surface with 2–5 μm aggregates and nanoscale roughness (10–12 nm), features that enhance light scattering and charge transport. Thermogravimetric analysis confirmed thermal stability up to 260 °C, supporting its suitability for solution-based processing. Optical measurements revealed a direct bandgap of 2.69 eV, strong UV–visible absorption (323–518 nm), and dual photoluminescence emissions associated with π–π∗ transitions and intramolecular charge transfer. Au/<strong>BEHPQ</strong>/n-Si heterojunction devices fabricated under ambient conditions exhibited strong optoelectronic performance, including a responsivity of 2.4 × 10<sup>10</sup> A/W, detectivity of 3.0 × 10<sup>10</sup> Jones, and open-circuit voltage of 0.45 V under 80 mW/cm<sup>2</sup> illumination, with favorable resistance values. These results underscore <strong>BEHPQ</strong>'s promise as a versatile, solution-processable semiconductor for efficient visible-light photodetectors and hybrid photovoltaic systems.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418313"},"PeriodicalIF":2.8,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081196","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.physb.2026.418311
J. Kaštil , L.V.B. Diop , P. Král , J. Valenta , M. Míšek , Z. Arnold , O. Isnard
The influence of chemical substitution on the structural, magnetic, and electronic transport properties has been systematically investigated along the Ce2Ni2-xCuxSn series of compounds, which belong to the Kondo lattice system. Then, hydrogen insertion has been carried out to study the effect of negative pressure on their properties. Substitution of Cu for Ni leads to a linear increase of the lattice parameters, with the largest change being observed for x = 0.3, with an expansion of 0.55 % along the c-axis. The antiferromagnetic ground state of the parent compound, Ce2Ni2Sn, is progressively suppressed with increasing Cu content. A reduction in the Kondo temperature is observed upon Cu substitution for Ni, an evolution discussed in reference to the Compressible Kondo Lattice model. Hydrogen is readily absorbed by these compounds, forming hydrides that are stable in air. The highest hydrogen uptake, reaching 5.7 H atoms per formula unit, was observed for x = 0.1. In contrast, deuterium absorption is significantly lower and occurs only at elevated temperatures; nevertheless, the resulting deuterides exhibit similar unit cell expansion and magnetic behavior. Upon hydrogenation, the Sommerfeld coefficient decreases from 328 mJ mol−1 K−2 in Ce2Ni2Sn to 88 mJ mol−1 K−2 for Ce2Ni2SnDy. Hydrogen insertion is found to suppress the antiferromagnetic order in Ce2Ni2Sn, indicating the hydrogen-induced evolution of competition between RKKY magnetic exchange interaction and Kondo screening. In an attempt to prepare indium for tin-substituted variants for x ranging from 0.1 to 0.3, only the Ce2Ni2Sn0.9In0.1 alloy was found to be stable, with In substitution inducing a structural transformation from orthorhombic W2CoB2-type structure (space group Immm) to the P4/mbm symmetry. This compound exhibits a magnetically ordered state below T = 9 K, suggesting antiferromagnetic order and a second magnetic transition at 6.1 K.
{"title":"Structural, magnetic, and transport properties of Cu- and In-substituted Ce2Ni2Sn compounds and their hydrides","authors":"J. Kaštil , L.V.B. Diop , P. Král , J. Valenta , M. Míšek , Z. Arnold , O. Isnard","doi":"10.1016/j.physb.2026.418311","DOIUrl":"10.1016/j.physb.2026.418311","url":null,"abstract":"<div><div>The influence of chemical substitution on the structural, magnetic, and electronic transport properties has been systematically investigated along the Ce<sub>2</sub>Ni<sub>2-x</sub>Cu<sub>x</sub>Sn series of compounds, which belong to the Kondo lattice system. Then, hydrogen insertion has been carried out to study the effect of negative pressure on their properties. Substitution of Cu for Ni leads to a linear increase of the lattice parameters, with the largest change being observed for x = 0.3, with an expansion of 0.55 % along the c-axis. The antiferromagnetic ground state of the parent compound, Ce<sub>2</sub>Ni<sub>2</sub>Sn, is progressively suppressed with increasing Cu content. A reduction in the Kondo temperature is observed upon Cu substitution for Ni, an evolution discussed in reference to the Compressible Kondo Lattice model. Hydrogen is readily absorbed by these compounds, forming hydrides that are stable in air. The highest hydrogen uptake, reaching 5.7 H atoms per formula unit, was observed for x = 0.1. In contrast, deuterium absorption is significantly lower and occurs only at elevated temperatures; nevertheless, the resulting deuterides exhibit similar unit cell expansion and magnetic behavior. Upon hydrogenation, the Sommerfeld coefficient decreases from 328 mJ mol<sup>−1</sup> K<sup>−2</sup> in Ce<sub>2</sub>Ni<sub>2</sub>Sn to 88 mJ mol<sup>−1</sup> K<sup>−2</sup> for Ce<sub>2</sub>Ni<sub>2</sub>SnD<sub>y</sub>. Hydrogen insertion is found to suppress the antiferromagnetic order in Ce<sub>2</sub>Ni<sub>2</sub>Sn, indicating the hydrogen-induced evolution of competition between RKKY magnetic exchange interaction and Kondo screening. In an attempt to prepare indium for tin-substituted variants for x ranging from 0.1 to 0.3, only the Ce<sub>2</sub>Ni<sub>2</sub>Sn<sub>0.9</sub>In<sub>0.1</sub> alloy was found to be stable, with In substitution inducing a structural transformation from orthorhombic W<sub>2</sub>CoB<sub>2</sub>-type structure (space group Immm) to the P4/mbm symmetry. This compound exhibits a magnetically ordered state below T = 9 K, suggesting antiferromagnetic order and a second magnetic transition at 6.1 K.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418311"},"PeriodicalIF":2.8,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081199","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.physb.2026.418315
Xingliang Wang , Juchuan Chai , Qiaogang Song , Xinghuan Hu , Chi Yang , Shuying Liao , Yi Huang , Xiaoge Zhang , Shurong Wang
Silver nanoparticles (Ag NPs) possess distinctive characteristics including low resonant losses, minimal parasitic absorption, high specific surface area, and significant surface activity. This study presents an interfacial modification technique utilizing Ag NPs to improve the performance of Cu2ZnSn(S,Se)4(CZTSSe) thin-film solar cells. All devices incorporating Ag NPs exhibited enhanced efficiency, attributable to the light-scattering properties of the NPs that boost photon absorption in the CZTSSe layer, combined with near-field effects that improve the dissociation and collection of photo-generated charge carriers. Notably, the device modified with Ag NPs from a 10 nm Ag layer showed an efficiency increase from 10.2 % to 11.7 %, with the short-circuit current density rising from 37.16 mA/cm2 to 40.41 mA/cm2 and the open-circuit voltage increasing from 467.2 mV to 496.4 mV. This Ag NP-based interfacial modification approach provides a promising pathway for enhancing CZTSSe thin-film photovoltaic devices.
{"title":"Research on the influence of interfacial modification with silver nanoparticles on kesterite thin-film solar cells","authors":"Xingliang Wang , Juchuan Chai , Qiaogang Song , Xinghuan Hu , Chi Yang , Shuying Liao , Yi Huang , Xiaoge Zhang , Shurong Wang","doi":"10.1016/j.physb.2026.418315","DOIUrl":"10.1016/j.physb.2026.418315","url":null,"abstract":"<div><div>Silver nanoparticles (Ag NPs) possess distinctive characteristics including low resonant losses, minimal parasitic absorption, high specific surface area, and significant surface activity. This study presents an interfacial modification technique utilizing Ag NPs to improve the performance of Cu<sub>2</sub>ZnSn(S,Se)<sub>4</sub>(CZTSSe) thin-film solar cells. All devices incorporating Ag NPs exhibited enhanced efficiency, attributable to the light-scattering properties of the NPs that boost photon absorption in the CZTSSe layer, combined with near-field effects that improve the dissociation and collection of photo-generated charge carriers. Notably, the device modified with Ag NPs from a 10 nm Ag layer showed an efficiency increase from 10.2 % to 11.7 %, with the short-circuit current density rising from 37.16 mA/cm<sup>2</sup> to 40.41 mA/cm<sup>2</sup> and the open-circuit voltage increasing from 467.2 mV to 496.4 mV. This Ag NP-based interfacial modification approach provides a promising pathway for enhancing CZTSSe thin-film photovoltaic devices.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418315"},"PeriodicalIF":2.8,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-23DOI: 10.1016/j.physb.2026.418271
Dung Nguyen Trong , Tuan Tran Quoc , Ştefan Ţălu
This study investigates the effects of compositional and thermal factors on the structural properties, phase transitions, and glass transition temperature of Ga1-xInx alloys (x = 0.2, 0.4, 0.5, 0.6, 0.8) using simulation methods. At 300 K, the calculated bond lengths for Ga–Ga, Ga–In, and In–In pairs are approximately 3.25 Å, 3.15 Å, and 3.05 Å, respectively. As the temperature decreases from 300 K to 4 K and the indium concentration increases from 20 % to 80 %, the total number of atoms in the system rises from 5,324 to 27,436. Despite these changes, the average bond length remains relatively stable, fluctuating around 3.15 Å. However, the total bonding energy of the system decreases significantly, contributing to an overall increase in structural smoothness and stability of the alloy. Furthermore, the glass transition temperature (Tg) of the GaIn alloy was determined to be approximately 188 K. These findings offer valuable insights into the temperature- and composition-dependent behavior of GaIn alloys and provide a theoretical foundation for their optimization in advanced semiconductor device applications.
{"title":"Simulation study of structural, phase transition, and glass transition behavior in Ga1-xInx alloys (x = 0.2–0.8)","authors":"Dung Nguyen Trong , Tuan Tran Quoc , Ştefan Ţălu","doi":"10.1016/j.physb.2026.418271","DOIUrl":"10.1016/j.physb.2026.418271","url":null,"abstract":"<div><div>This study investigates the effects of compositional and thermal factors on the structural properties, phase transitions, and glass transition temperature of Ga<sub>1-x</sub>In<sub>x</sub> alloys (x = 0.2, 0.4, 0.5, 0.6, 0.8) using simulation methods. At 300 K, the calculated bond lengths for Ga–Ga, Ga–In, and In–In pairs are approximately 3.25 Å, 3.15 Å, and 3.05 Å, respectively. As the temperature decreases from 300 K to 4 K and the indium concentration increases from 20 % to 80 %, the total number of atoms in the system rises from 5,324 to 27,436. Despite these changes, the average bond length remains relatively stable, fluctuating around 3.15 Å. However, the total bonding energy of the system decreases significantly, contributing to an overall increase in structural smoothness and stability of the alloy. Furthermore, the glass transition temperature (T<sub>g</sub>) of the GaIn alloy was determined to be approximately 188 K. These findings offer valuable insights into the temperature- and composition-dependent behavior of GaIn alloys and provide a theoretical foundation for their optimization in advanced semiconductor device applications.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418271"},"PeriodicalIF":2.8,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081195","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In this study, Ga2O3 doped ZnO-MnO2-SrCO3-based linear resistors were prepared through a sintering process at 1320 °C. The impacts of Ga2O3 doping on the microstructure and electrical properties of the ZnO-based linear resistors were systematically investigated. The results show that doping with a moderate amount of Ga2O3 promotes the growth of ZnO grains, effectively reduces the nonlinear coefficient of resistors and enhances the resistance frequency stability. It also enables the resistivity of the resistors to be adjusted over a wide range. The nonlinear coefficient (α) of the resistor reaches 1.0 when 0.3 mol% Ga2O3 is doped. The resistivity (ρ) reaches the smallest value of 855.31 Ω cm when the 0.5 mol% Ga2O3 is doped. It is about 98.6 % lower than the value at a doping concentration of 0.1 mol% Ga2O3. The doping of Ga2O3 not only improves the linearity of ZnO-based resistors, but also reduces their resistivity to some extent.
{"title":"Impact of Ga2O3 doping on microstructure and electrical properties of novel ZnO-MnO2-SrCO3-based linear resistors","authors":"Xuefang Chen , Lingru Meng , Yunong Liao , Weiqi Zhang , Jinyi Wu , Ruiqing Chu , Zhijun Xu","doi":"10.1016/j.physb.2026.418314","DOIUrl":"10.1016/j.physb.2026.418314","url":null,"abstract":"<div><div>In this study, Ga<sub>2</sub>O<sub>3</sub> doped ZnO-MnO<sub>2</sub>-SrCO<sub>3</sub>-based linear resistors were prepared through a sintering process at 1320 °C. The impacts of Ga<sub>2</sub>O<sub>3</sub> doping on the microstructure and electrical properties of the ZnO-based linear resistors were systematically investigated. The results show that doping with a moderate amount of Ga<sub>2</sub>O<sub>3</sub> promotes the growth of ZnO grains, effectively reduces the nonlinear coefficient of resistors and enhances the resistance frequency stability. It also enables the resistivity of the resistors to be adjusted over a wide range. The nonlinear coefficient (α) of the resistor reaches 1.0 when 0.3 mol% Ga<sub>2</sub>O<sub>3</sub> is doped. The resistivity (ρ) reaches the smallest value of 855.31 Ω cm when the 0.5 mol% Ga<sub>2</sub>O<sub>3</sub> is doped. It is about 98.6 % lower than the value at a doping concentration of 0.1 mol% Ga<sub>2</sub>O<sub>3</sub>. The doping of Ga<sub>2</sub>O<sub>3</sub> not only improves the linearity of ZnO-based resistors, but also reduces their resistivity to some extent.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418314"},"PeriodicalIF":2.8,"publicationDate":"2026-01-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-22DOI: 10.1016/j.physb.2026.418309
Sanober Kanwal , Ahsan Illahi , Amna Nasir , Asif Nawaz Khan , M. Anis-ur-Rehman , Muhammad Kaleem
Perovskite oxides have been extensively studied for optoelectronic applications because of their flexible structure. In this work utilizing the FP-LAPW method in the Wien2K code to examine the double perovskites Na2ReXO6 (X = Al, In) for efficient energy harvesting devices. The structures were relaxed using Perdew-Burke-Ernzerhof (PBE) method's Generalized Gradient Approximation (GGA) and the Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme was employed for accurate electronic properties. Both compounds are structurally and thermodynamically stable, and thermal stability of both compounds was demonstrated through AIMD simulations. These compounds exhibit mechanical stability and the absence of negative frequencies in the phonon dispersion curves confirms their dynamically stability. Analysis of the band structure revealed that the Na2ReXO6 (X = Al, In) perovskites exhibit direct bandgap of 1.243 eV and 1.741 eV respectively. Additionally, significant dielectric response and high absorption coefficients of Na2ReXO6 (X = Al, In) make these compounds optically active in the visible spectrum suggesting their potential for energy harvesting.
{"title":"DFT and AIMD insights into the photo-excited stability of Na2ReXO6 (X=Al, In) perovskites for efficient energy harvesting","authors":"Sanober Kanwal , Ahsan Illahi , Amna Nasir , Asif Nawaz Khan , M. Anis-ur-Rehman , Muhammad Kaleem","doi":"10.1016/j.physb.2026.418309","DOIUrl":"10.1016/j.physb.2026.418309","url":null,"abstract":"<div><div>Perovskite oxides have been extensively studied for optoelectronic applications because of their flexible structure. In this work utilizing the FP-LAPW method in the Wien2K code to examine the double perovskites Na<sub>2</sub>ReXO<sub>6</sub> (X = Al, In) for efficient energy harvesting devices. The structures were relaxed using Perdew-Burke-Ernzerhof (PBE) method's Generalized Gradient Approximation (GGA) and the Tran-Blaha modified Becke-Johnson (TB-mBJ) scheme was employed for accurate electronic properties. Both compounds are structurally and thermodynamically stable, and thermal stability of both compounds was demonstrated through AIMD simulations. These compounds exhibit mechanical stability and the absence of negative frequencies in the phonon dispersion curves confirms their dynamically stability. Analysis of the band structure revealed that the Na<sub>2</sub>ReXO<sub>6</sub> (X = Al, In) perovskites exhibit direct bandgap of 1.243 eV and 1.741 eV respectively. Additionally, significant dielectric response and high absorption coefficients of Na<sub>2</sub>ReXO<sub>6</sub> (X = Al, In) make these compounds optically active in the visible spectrum suggesting their potential for energy harvesting.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418309"},"PeriodicalIF":2.8,"publicationDate":"2026-01-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.physb.2026.418310
Guochu Deng
We systematically investigated crystal-field (CF) excitations of Kramers (Nd3+, Er3+, Yb3+) and non-Kramers (Pr3+, Ho3+) rare-earth ions in REFeO3 using optimized CF simulations. Internal magnetic fields from the Fe3+ and RE3+ sublattices split the ground-state doublets of all Kramers ions, generating low-energy excitations around 1 meV. In non-Kramers systems, low-energy excitations arise only when the ground state forms an accidental pseudo-doublet, as observed for Ho3+ in HoFeO3; such pseudo-doublets exhibit field-induced splitting analogous to Kramers ions. In contrast, true singlet ground states, exemplified by Pr3+, show no zero-field splitting. Strong anisotropies are found in both internal- and external-field responses of the CF excitations in these REFeO3. These results provide a unified explanation for the anomalous Zeeman splitting of CF ground states in REFeO3.
{"title":"Internal and external field effects upon crystal field excitations in REFeO3 (RE = Nd3+, Er3+, Yb3+, Pr3+, and Ho3+)","authors":"Guochu Deng","doi":"10.1016/j.physb.2026.418310","DOIUrl":"10.1016/j.physb.2026.418310","url":null,"abstract":"<div><div>We systematically investigated crystal-field (CF) excitations of Kramers (Nd<sup>3+</sup>, Er<sup>3+</sup>, Yb<sup>3+</sup>) and non-Kramers (Pr<sup>3+</sup>, Ho<sup>3+</sup>) rare-earth ions in REFeO<sub>3</sub> using optimized CF simulations. Internal magnetic fields from the Fe<sup>3+</sup> and RE<sup>3+</sup> sublattices split the ground-state doublets of all Kramers ions, generating low-energy excitations around 1 meV. In non-Kramers systems, low-energy excitations arise only when the ground state forms an accidental pseudo-doublet, as observed for Ho<sup>3+</sup> in HoFeO<sub>3</sub>; such pseudo-doublets exhibit field-induced splitting analogous to Kramers ions. In contrast, true singlet ground states, exemplified by Pr<sup>3+</sup>, show no zero-field splitting. Strong anisotropies are found in both internal- and external-field responses of the CF excitations in these REFeO<sub>3</sub>. These results provide a unified explanation for the anomalous Zeeman splitting of CF ground states in REFeO<sub>3</sub>.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"726 ","pages":"Article 418310"},"PeriodicalIF":2.8,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146038237","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.physb.2026.418312
B.N. Varalakshmi , Raveendra Kiran M , Hidayath Ulla
Efficient charge injection and balanced carrier recombination are critical for optimizing OLED performance. This study systematically investigates how the thickness of the electron-accepting interlayer F4TCNQ at the ITO/α-NPD interface governs hole-injection energetics and device efficiency. Devices with configuration ITO/F4TCNQ (0–8 nm)/α-NPD/Alq3/TPBi/LiF/Al were fabricated to examine thickness-dependent modulation of energy alignment and charge dynamics. Controlled F4TCNQ coverage enhances hole injection by tuning the anode work function via surface charge transfer and interfacial dipole formation. An optimal 6 nm interlayer yields a threefold enhancement in current, power, and external quantum efficiencies (4.89 cd A−1, 3.39 lm W−1, and 3.21 %). Thicker layers (>6 nm) induce resistive and non-radiative losses, reducing performance. These findings elucidate the relationship between interfacial dipoles, tunnelling-limited injection, and carrier balance, offering a generalizable approach to molecular-level energy-level engineering for high-efficiency OLEDs.
高效的电荷注入和平衡的载流子复合是优化OLED性能的关键。本研究系统地研究了ITO/α-NPD界面上电子接受层F4TCNQ的厚度对空穴注入能量和器件效率的影响。制备了ITO/F4TCNQ (0-8 nm)/α-NPD/Alq3/TPBi/LiF/Al结构的器件，研究了能量取向和电荷动力学的厚度依赖性调制。可控的F4TCNQ覆盖范围通过表面电荷转移和界面偶极子形成调节阳极功函数来增强空穴注入。最佳的6 nm中间层在电流、功率和外部量子效率方面提高了三倍（4.89 cd a−1,3.39 lm W−1和3.21%）。较厚的层（> 6nm）会导致电阻和非辐射损耗，从而降低性能。这些发现阐明了界面偶极子、隧道限制注入和载流子平衡之间的关系，为高效oled的分子能级工程提供了一种可推广的方法。
{"title":"Exploring F4TCNQ-Induced interlayer modulation of energy alignment and charge dynamics in OLEDs: Initial studies","authors":"B.N. Varalakshmi , Raveendra Kiran M , Hidayath Ulla","doi":"10.1016/j.physb.2026.418312","DOIUrl":"10.1016/j.physb.2026.418312","url":null,"abstract":"<div><div>Efficient charge injection and balanced carrier recombination are critical for optimizing OLED performance. This study systematically investigates how the thickness of the electron-accepting interlayer F<sub>4</sub>TCNQ at the ITO/α-NPD interface governs hole-injection energetics and device efficiency. Devices with configuration ITO/F<sub>4</sub>TCNQ (0–8 nm)/α-NPD/Alq<sub>3</sub>/TPBi/LiF/Al were fabricated to examine thickness-dependent modulation of energy alignment and charge dynamics. Controlled F<sub>4</sub>TCNQ coverage enhances hole injection by tuning the anode work function via surface charge transfer and interfacial dipole formation. An optimal 6 nm interlayer yields a threefold enhancement in current, power, and external quantum efficiencies (4.89 cd A<sup>−1</sup>, 3.39 lm W<sup>−1</sup>, and 3.21 %). Thicker layers (>6 nm) induce resistive and non-radiative losses, reducing performance. These findings elucidate the relationship between interfacial dipoles, tunnelling-limited injection, and carrier balance, offering a generalizable approach to molecular-level energy-level engineering for high-efficiency OLEDs.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"726 ","pages":"Article 418312"},"PeriodicalIF":2.8,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146038236","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2026-01-21DOI: 10.1016/j.physb.2026.418299
Vinola Johnson , Vinitha G , Sathish S , M. Tamilelakkiya , T.C. Sabari Girisun , Thiyagarajan M
The Nonlinear Optical properties (NLO) of the PVA/CMC loaded with Lanthanum Praseodymium Aluminate (LaPrAlO3) nanoparticles was investigated via the Z scan setup at Q-switched Nd:YAG laser (i.e) at 532 nm excitation at nanosecond regime. An excellent improvement is noticed in the NLO characteristics of the filler integrated polymer nanocomposites has been reported in comparison to the individual nanofillers. Further the nanofillers exhibits Saturable absorption whereas on integrating it within the polymer matrix it exhibits the features of Reverse Saturable Absorption. This improved NLO features is due to the complex energy band structures that are formed during the synthesis that promote resonant transition to the conduction band via Surface Plasmon Resonance (SPR). Therefore, the RSA observed in the polymer nanocomposites is highly attributed to the Optical Limiting ability of the nanocomposite. This NLO properties are supported and proved through the structural, Vibrational, thermal and linear optical properties.
{"title":"Third order nonlinear optical properties of polymer-perovskite nanocomposites for optical limiter","authors":"Vinola Johnson , Vinitha G , Sathish S , M. Tamilelakkiya , T.C. Sabari Girisun , Thiyagarajan M","doi":"10.1016/j.physb.2026.418299","DOIUrl":"10.1016/j.physb.2026.418299","url":null,"abstract":"<div><div>The Nonlinear Optical properties (NLO) of the PVA/CMC loaded with Lanthanum Praseodymium Aluminate (LaPrAlO<sub>3</sub>) nanoparticles was investigated via the Z scan setup at Q-switched Nd:YAG laser (i.e) at 532 nm excitation at nanosecond regime. An excellent improvement is noticed in the NLO characteristics of the filler integrated polymer nanocomposites has been reported in comparison to the individual nanofillers. Further the nanofillers exhibits Saturable absorption whereas on integrating it within the polymer matrix it exhibits the features of Reverse Saturable Absorption. This improved NLO features is due to the complex energy band structures that are formed during the synthesis that promote resonant transition to the conduction band via Surface Plasmon Resonance (SPR). Therefore, the RSA observed in the polymer nanocomposites is highly attributed to the Optical Limiting ability of the nanocomposite. This NLO properties are supported and proved through the structural, Vibrational, thermal and linear optical properties.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418299"},"PeriodicalIF":2.8,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081193","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
In response to the growing demand for efficient room-temperature gas sensors, this study explores the fabrication and characterization of ZnO nanostructured thin films (NTFs) and CuO/ZnO bilayer nanocomposite thin films (NCTFs) using a cost-effective thermal spray pyrolysis technique. Comprehensive analyses, including XRD with Rietveld refinement, FESEM, and UV–Vis spectroscopy, confirmed the crystalline phases, morphology, and optical properties of the films. ZnO films exhibited uniform nanoscale particles with 43.5 % porosity and a band gap of 3.12 eV, while CuO/ZnO films showed larger grains and a wider band gap of 3.85 eV. Gas sensing tests at 303 K revealed that ZnO films offered higher ethanol sensing responses with response and recovery times of 603 s and 217 s, respectively. ZnO thin films are highly suitable for room-temperature gas-sensing applications, whereas CuO/ZnO composite films exhibit superior performance with faster response (474 s) and recovery (225 s) times.
{"title":"ZnO and CuO/ZnO nanostructured thin films via thermal spray pyrolysis for ethanol sensing at room temperature: A cost-effective approach","authors":"Tusar Saha , Selina Akter Lucky , Mehnaz Sharmin , Jiban Podder","doi":"10.1016/j.physb.2026.418300","DOIUrl":"10.1016/j.physb.2026.418300","url":null,"abstract":"<div><div>In response to the growing demand for efficient room-temperature gas sensors, this study explores the fabrication and characterization of ZnO nanostructured thin films (NTFs) and CuO/ZnO bilayer nanocomposite thin films (NCTFs) using a cost-effective thermal spray pyrolysis technique. Comprehensive analyses, including XRD with Rietveld refinement, FESEM, and UV–Vis spectroscopy, confirmed the crystalline phases, morphology, and optical properties of the films. ZnO films exhibited uniform nanoscale particles with 43.5 % porosity and a band gap of 3.12 eV, while CuO/ZnO films showed larger grains and a wider band gap of 3.85 eV. Gas sensing tests at 303 K revealed that ZnO films offered higher ethanol sensing responses with response and recovery times of 603 s and 217 s, respectively. ZnO thin films are highly suitable for room-temperature gas-sensing applications, whereas CuO/ZnO composite films exhibit superior performance with faster response (474 s) and recovery (225 s) times.</div></div>","PeriodicalId":20116,"journal":{"name":"Physica B-condensed Matter","volume":"727 ","pages":"Article 418300"},"PeriodicalIF":2.8,"publicationDate":"2026-01-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146081197","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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