Chinese Journal of Physics最新文献

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Influence of next nearest neighbor interaction on the spin wave resonance frequency in ferromagnetic heterogeneous bilayer films 次近邻相互作用对铁磁非均质双层膜自旋波共振频率的影响
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-27 DOI: 10.1016/j.cjph.2025.02.040
Jianhong Rong , Ruijiao Ma , Huan Wang , Xiaojie Zhang , Ali Abdolahzadeh Ziabari , Gap Soo Chang
{"title":"Influence of next nearest neighbor interaction on the spin wave resonance frequency in ferromagnetic heterogeneous bilayer films","authors":"Jianhong Rong ,&nbsp;Ruijiao Ma ,&nbsp;Huan Wang ,&nbsp;Xiaojie Zhang ,&nbsp;Ali Abdolahzadeh Ziabari ,&nbsp;Gap Soo Chang","doi":"10.1016/j.cjph.2025.02.040","DOIUrl":"10.1016/j.cjph.2025.02.040","url":null,"abstract":"<div><div>The next nearest neighbor (NNN) interaction is sometimes non-negligible for the application of spintronic devices in magnetic materials. Thus, understanding the contribution of the NNN interaction has been a significant research target. Although numerous approaches have been explored to control the NNN interaction, few reports of the competition of the NNN interaction of heterogeneous bilayer films have been presented. In this work, the spin wave resonance frequency of ferromagnetic heterogeneous bilayer films with the NNN interaction has been investigated using the linear spin wave approximation and Green's function methods. To clarify the contribution of the NNN interaction, the effects of the characteristic parameters of the system, such as interface coupling, surface anisotropy, external magnetic field, film thicknesses and symmetry, on the spin wave resonance frequency have also been studied in detail. It is found that the spin wave resonance frequencies of three lower-frequency modes depend strongly on the thickness of film. The frequency gap between the two neighbor modes is broadened when the thickness of the film is decreased. Besides, the NNN interaction and the symmetry play an important role in increasing the spin wave resonance frequency. Moreover, it is worth noting that the spin wave resonance frequency of the lowest-frequency mode depends weakly on the NNN interaction, the interface coupling, and the symmetry. Considering these effects in an opportune way, the spin wave resonance frequency of ferromagnetic thin film system can be controlled.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 147-156"},"PeriodicalIF":4.6,"publicationDate":"2025-02-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143601739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Enhancing quantum entanglement with the local displacement-based quantum scissor 基于局部位移的量子剪刀增强量子纠缠
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-26 DOI: 10.1016/j.cjph.2025.02.025
Ying Xia , Yaxin Wang , Tianqi Xiao , Wei Ye , Zeyang Liao , Xiaoqi Zhou
{"title":"Enhancing quantum entanglement with the local displacement-based quantum scissor","authors":"Ying Xia ,&nbsp;Yaxin Wang ,&nbsp;Tianqi Xiao ,&nbsp;Wei Ye ,&nbsp;Zeyang Liao ,&nbsp;Xiaoqi Zhou","doi":"10.1016/j.cjph.2025.02.025","DOIUrl":"10.1016/j.cjph.2025.02.025","url":null,"abstract":"<div><div>Entangled quantum states serve as a pivotal resource in quantum information processing, where the preparation of highly entangled quantum states is a core issue. In this paper, we propose a local displacement-based quantum scissor (LDQS) scheme to enhance the entanglement of the two-mode squeezed vacuum (TMSV) state. By introducing a local displacement operation in the traditional quantum scissor, the entanglement of the TMSV state is enhanced by approximately <span><math><mrow><mn>75</mn><mtext>%</mtext></mrow></math></span> for low initial squeezing (<span><math><mrow><mi>r</mi><mo>=</mo><mn>0</mn><mo>.</mo><mn>2</mn></mrow></math></span>) conditions. Compared with the local squeezing-based quantum scissor scheme (Liu et al., 2022), the LDQS scheme eliminates the need for additional pumping and the use of inefficient nonlinear crystals, thereby simplifying the experimental procedure. Moreover, the LDQS scheme provides a greater enhancement in entanglement when both schemes are implemented with the same success probability. Finally, we also demonstrate that the LDQS operation can be used to enhance the entanglement of the TMSV state in lossy channels. These advantages suggest that our scheme shows promise for application in various quantum information tasks, including quantum metrology and quantum communication.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 731-741"},"PeriodicalIF":4.6,"publicationDate":"2025-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143808454","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Dynamic behavior of nonlinear Goodwin oscillator based on data-driven modeling 基于数据驱动建模的非线性古德温振荡器动力学行为
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-25 DOI: 10.1016/j.cjph.2025.02.043
Yanming Liang, Yongfeng Guo
{"title":"Dynamic behavior of nonlinear Goodwin oscillator based on data-driven modeling","authors":"Yanming Liang,&nbsp;Yongfeng Guo","doi":"10.1016/j.cjph.2025.02.043","DOIUrl":"10.1016/j.cjph.2025.02.043","url":null,"abstract":"<div><div>Recent advancements in economic dynamics have been significantly shaped by the development of the Goodwin model and the application of nonlinear dynamics theory to economic systems. This study extends the classical Goodwin model by incorporating an empirically derived investment function to more precisely characterize investment dynamics within real economic systems. Furthermore, economic systems are frequently subject to exogenous shocks, leading to substantial market fluctuations that traditional deterministic models often fail to adequately capture. To address this limitation, this study employs a Goodwin model driven by Lévy noise to represent the stochastic evolution of economic systems. An analysis of the data-driven Goodwin model subject to Lévy noise excitation indicates that parameter variations significantly influence the steady-state probability density distribution, particularly affecting peak adjustments, which in turn impact income levels. This study underscores the pivotal role of parameter adjustments in economic modeling, particularly in relation to system dynamics and the mean first passage time (MFPT). The findings demonstrate that both additive and multiplicative Lévy noise expedite state transitions between stabilization points, thereby facilitating shifts between different equilibrium states. However, this transition acceleration is accompanied by an increase in income level fluctuations. Additionally, the results suggest that excessive government intervention in economic parameters may constrain income volatility, whereas targeted parameter adjustments can modulate transition rates and contribute to noise-induced stabilization.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 287-297"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143644385","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Singularities in massive conformal gravity 大质量共形引力中的奇点
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-25 DOI: 10.1016/j.cjph.2025.02.021
F.F. Faria
{"title":"Singularities in massive conformal gravity","authors":"F.F. Faria","doi":"10.1016/j.cjph.2025.02.021","DOIUrl":"10.1016/j.cjph.2025.02.021","url":null,"abstract":"<div><div>We study the quantum effects of big bang and black hole singularities on massive conformal gravity. We do this by analyzing the behavior of the on-shell effective action of the theory at these singularities. The result is that such singularities are harmless in massive conformal gravity because the on-shell effective action of the theory does not diverge at them.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 140-146"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143601736","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Structural, electronic, thermoelectric, optical, and magnetocaloric properties of Mn-based chalcogenide MnAl2Te4: An Ab initio calculations and Monte Carlo simulations 锰基硫化物MnAl2Te4的结构、电子、热电、光学和磁热性质:从头算和蒙特卡罗模拟
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-25 DOI: 10.1016/j.cjph.2025.02.038
G. Kadim, R. Masrour
{"title":"Structural, electronic, thermoelectric, optical, and magnetocaloric properties of Mn-based chalcogenide MnAl2Te4: An Ab initio calculations and Monte Carlo simulations","authors":"G. Kadim,&nbsp;R. Masrour","doi":"10.1016/j.cjph.2025.02.038","DOIUrl":"10.1016/j.cjph.2025.02.038","url":null,"abstract":"<div><div>We used the all-electronic full-potential linearized augmented plane wave method to investigate the structural, electronic, thermoelectric, optical, and magnetocaloric properties of MnAl<sub>2</sub>Te<sub>4</sub>. The compound is characterized as an antiferromagnetic semiconductor. Optical properties, including dielectric function, optical conductivity, absorption, and reflectivity, were analyzed along principal axes to assess optical anisotropy. Thermoelectric properties such as electrical conductivity, thermal conductivity, Seebeck coefficient, and merit factor, were studied using the Boltztrap code, showing high electrical conductivity at elevated temperatures. MnAl<sub>2</sub>Te<sub>4</sub> is a promising candidate for thermoelectric applications due to its high optical and thermal resistance. The Néel temperature is found to be 80 K, and at a magnetic field of 6T, the maximum magnetic entropy change, and specific heat are 0.108 J/kg.·K and 19.81 J/mol.·K, respectively.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 53-63"},"PeriodicalIF":4.6,"publicationDate":"2025-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143562845","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Genocchi operational matrix of the differentiation method for phase change process with size-dependent thermal conductivity and mass diffusivity 热导率和质量扩散率随尺寸变化的相变过程的微分方法的Genocchi运算矩阵
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-24 DOI: 10.1016/j.cjph.2025.02.022
Sunil Kumar Sharma , Narinder Kumar , Nehad Ali Shah , Vikas Chaurasiya
{"title":"Genocchi operational matrix of the differentiation method for phase change process with size-dependent thermal conductivity and mass diffusivity","authors":"Sunil Kumar Sharma ,&nbsp;Narinder Kumar ,&nbsp;Nehad Ali Shah ,&nbsp;Vikas Chaurasiya","doi":"10.1016/j.cjph.2025.02.022","DOIUrl":"10.1016/j.cjph.2025.02.022","url":null,"abstract":"<div><div>The study of variable heat conductivity shows significant contribution in the fields of heat and mass transfer. When phase-change materials (PCMs) experience a temperature difference, they change their original state. This causes a change in thermal conductivity at each instant. In connection with this, the study of a phase change sublimation that accounts for size-dependent thermal conductivity and mass diffusivity is essential to optimizing the sublimation rate, which is still absent and being considered in this work. Modeling accounts for internal heat generation as a function of space and time. A time-dependent flux-type heat source drives sublimation. The Genocchi operational matrix of differentiation method is employed successfully to obtain the numerical results and verified with finite-difference method in the case of full model. The condition for the limitation of the sublimation is derived in the case of full model, and shown that sublimation can take place within the region under the sublimation curve. It is found that with an internal heat source, a greater rate of sublimation is achieved. Moreover, a sublimation model that accounts for fixed heat conductivity, convection, and an internal heat source has a faster sublimation rate than a sublimation model with size-dependent thermal conductivity and the standard sublimation model.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 529-557"},"PeriodicalIF":4.6,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143738790","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
DFT+U study of different magnetic configurations for the GdB1-x FexO3 (B = Co, Ru and x = 0.0, 0.5 and 1.0) type perovskite compounds, an overview for their structural, electronic and magnetic properties DFT+U研究了GdB1-x FexO3 (B = Co, Ru和x = 0.0, 0.5和1.0)型钙钛矿化合物的不同磁构型,概述了其结构、电子和磁性能
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-24 DOI: 10.1016/j.cjph.2025.02.034
J. Pilo , M. Romero , E.P. Arévalo-López , J.E. Antonio , H. Muñoz , J. Vargas-Bustamante , E. Benítez-Flores , R. Escamilla
{"title":"DFT+U study of different magnetic configurations for the GdB1-x FexO3 (B = Co, Ru and x = 0.0, 0.5 and 1.0) type perovskite compounds, an overview for their structural, electronic and magnetic properties","authors":"J. Pilo ,&nbsp;M. Romero ,&nbsp;E.P. Arévalo-López ,&nbsp;J.E. Antonio ,&nbsp;H. Muñoz ,&nbsp;J. Vargas-Bustamante ,&nbsp;E. Benítez-Flores ,&nbsp;R. Escamilla","doi":"10.1016/j.cjph.2025.02.034","DOIUrl":"10.1016/j.cjph.2025.02.034","url":null,"abstract":"<div><div>In this study, we investigated the structural, electronic properties, and different magnetic configurations of perovskite systems <span><math><mrow><mi>G</mi><mi>d</mi><msub><mi>B</mi><mrow><mn>1</mn><mo>−</mo><mi>x</mi></mrow></msub><mi>F</mi><msub><mi>e</mi><mi>x</mi></msub><msub><mi>O</mi><mn>3</mn></msub></mrow></math></span> (<em>B</em> = Co, and Ru) with x = 0.0, 0.5, and 1.0. Using density functional theory (DFT), with a) Hubbard U correction (DFT+U), and independently with b) spin-orbit coupling. Results using DFT+U show that the GdCoO<sub>3</sub> (GCO) and GdFeO<sub>3</sub> (GFO) systems with orthorhombic <em>Pbnm</em> structure exhibit an antiferromagnetic G-type (AFM-G) ground state, with a band gap of 0.908 eV and 0.552 eV, respectively. For GdRuO<sub>3</sub> (GRO), with orthorhombic <em>Pnma</em> structure, and GdRu<sub>0.5</sub>Fe<sub>0.5</sub>O<sub>3</sub> (GRFO), with monoclinic <em>P2<sub>1</sub>/n</em> structure, the ground state is an antiferromagnetic C-type (AFM-C) configuration, with a band gap of 0.942 eV and 0.489 eV, respectively. The GdCo<sub>0.5</sub>Fe<sub>0.5</sub>O<sub>3</sub> (GCFO) with monoclinic <em>P2<sub>1</sub>/n</em> structure, the ferrimagnetic (FIM) configuration is most stable with a spin-up band gap of 1.647 eV. On the other hand, using LSDA+SOC, the results show that the lowest magnetic configuration for GRO, GRFO, and GFO systems show contributions in-plane for the calculated magnetic moments; all systems exhibit metallic behavior, except for GFO, which shows semiconductor behavior with a direct band gap of 0.099 eV.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 157-172"},"PeriodicalIF":4.6,"publicationDate":"2025-02-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143610090","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Fabrication and application of periodic silver hollow nanorod arrays for enhanced photoluminescence 用于增强光致发光的周期性银空心纳米棒阵列的制备与应用
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-23 DOI: 10.1016/j.cjph.2025.02.036
Sy-Hann Chen , Yuan-Chin Ko , Yu-Cen Huang , Xiang-Ren He , Hsing-Chih Liang , Hai-Pang Chiang
{"title":"Fabrication and application of periodic silver hollow nanorod arrays for enhanced photoluminescence","authors":"Sy-Hann Chen ,&nbsp;Yuan-Chin Ko ,&nbsp;Yu-Cen Huang ,&nbsp;Xiang-Ren He ,&nbsp;Hsing-Chih Liang ,&nbsp;Hai-Pang Chiang","doi":"10.1016/j.cjph.2025.02.036","DOIUrl":"10.1016/j.cjph.2025.02.036","url":null,"abstract":"<div><div>This study examines the optical properties of a periodic silver hollow nanorod array (PSHNA) substrate with varying nanorod heights fabricated using a nanosphere lithography method. Finite element method (FEM) simulations were performed to analyze the absorption spectrum and electric field distribution of the PSHNA substrate. The results revealed localized surface plasmon resonance peaks at approximately 560, 580, and 595 nm for nanorod heights of 250, 350, and 450 nm, respectively. The electric field was found to be strongly localized around the nanorods, confirming the unique properties and enhanced photonic behavior of the PSHNA substrate. By adjusting the etching time of inductively coupled plasma reactive-ion etching, the nanorod heights were controlled at 250 ± 5, 350 ± 9, and 450 ± 13 nm to match the simulation conditions of the FEM. Experimental absorption spectra showed a distinct absorption peak near 595 nm for the PSHNA substrate with a nanorod height of 450 ± 13 nm. Photoluminescence (PL) intensity of the 4-(dicyanomethylene)-2-t-butyl-6-(1,1,7,7-tetramethyljulolidyl-9-enyl)-4H-pyran (DCJTB) molecules demonstrated a significant enhancement of 14.68-fold for this particular nanorod height. Additionally, time-resolved PL measurements indicated the shortest PL decay time for the PSHNA substrate with a nanorod height of 450 ± 13 nm, coinciding with the PL band for DCJTB. These findings provide valuable insights for designing and optimizing optical devices based on PSHNA structures.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 74-81"},"PeriodicalIF":4.6,"publicationDate":"2025-02-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143593312","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Impact of f(ℜ) functions on the dynamical evolution of axially symmetric collapsing stars f(1)函数对轴对称坍缩恒星动力学演化的影响
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-21 DOI: 10.1016/j.cjph.2025.02.017
M. Yousaf
{"title":"Impact of f(ℜ) functions on the dynamical evolution of axially symmetric collapsing stars","authors":"M. Yousaf","doi":"10.1016/j.cjph.2025.02.017","DOIUrl":"10.1016/j.cjph.2025.02.017","url":null,"abstract":"<div><div>The study explores the framework of <span><math><mrow><mi>f</mi><mrow><mo>(</mo><mi>ℜ</mi><mo>)</mo></mrow></mrow></math></span> gravity and the dynamical instability of an axially symmetric collapsing star with anisotropic matter distribution by employing a specific equation of state that links the static and non-static components of physical quantities through the adiabatic index. In this modified gravity theory, the Lagrangian density depends on the Ricci scalar (<span><math><mi>ℜ</mi></math></span>). We utilize radial perturbation techniques to analyze small variations in the geometric and material properties of the collapsing structure. The unstable regions are investigated using Newtonian and post-Newtonian approximations, with the collapse equation highlighting the critical role of the adiabatic index in identifying unstable phases of constrained, nonstatic, axially symmetric stars. Inequalities for the adiabatic index are derived for the Starobinsky model and logarithmic form of <span><math><mrow><mi>f</mi><mrow><mo>(</mo><mi>ℜ</mi><mo>)</mo></mrow></mrow></math></span> gravity. In contrast, this modification introduces additional curvature terms that significantly affect the dynamics of considered compact formations. The findings indicate hydrostatic equilibrium is achieved through a balance among gravitational, anti-gravitational, and effective pressure forces, while an imbalance triggers instability. Furthermore, dark source terms arising due to considered modified gravity contribute to the unstable behavior of the structure during its evolution, influenced by the choice of specific <span><math><mrow><mi>f</mi><mrow><mo>(</mo><mi>ℜ</mi><mo>)</mo></mrow></mrow></math></span> functions.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"95 ","pages":"Pages 1278-1302"},"PeriodicalIF":4.6,"publicationDate":"2025-02-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143928444","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
Theoretical study for constructing red multiple-resonance thermally activated delayed fluorescence molecules with narrowband emission by donor engineering strategy 通过供体工程策略构建具有窄带发射的红色多共振热激活延迟荧光分子的理论研究
IF 4.6 2区 物理与天体物理
Chinese Journal of Physics Pub Date : 2025-02-20 DOI: 10.1016/j.cjph.2025.02.031
Xin Zhao , Huanling Liu , Yuzhi Song , Lili Lin , Yuanyuan Xu , Chuan-Kui Wang , Jianzhong Fan
{"title":"Theoretical study for constructing red multiple-resonance thermally activated delayed fluorescence molecules with narrowband emission by donor engineering strategy","authors":"Xin Zhao ,&nbsp;Huanling Liu ,&nbsp;Yuzhi Song ,&nbsp;Lili Lin ,&nbsp;Yuanyuan Xu ,&nbsp;Chuan-Kui Wang ,&nbsp;Jianzhong Fan","doi":"10.1016/j.cjph.2025.02.031","DOIUrl":"10.1016/j.cjph.2025.02.031","url":null,"abstract":"<div><div>The exploration of reducing the full-width at half-maximum (FWHM) without enlarging energy gaps (∆E<sub>ST</sub>) in red multi-resonance thermally activated delayed fluorescence (MR TADF) molecule is highly demanded. Herein, based on density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations coupled with the thermal vibration correlation function (TVCF) method, we study the excited-state properties and luminescence mechanisms of two reported TADF molecules (PXZ-R-BN and BCz-R-BN). Drawing inspiration from these, we theoretically design four novel red MR TADF molecules by donor engineering strategy with increased electron donation abilities and extended π-conjugations. To accurately predict the excited state energies of these MR TADF molecules, we employ the range-separated double hybrid density functional (B2PLYP), effectively refining the ∆E<sub>ST</sub> values. Results show that different donor groups influence the frontier molecular orbitals, thereby reducing the energy gaps. These adjustments effectively optimize the energy levels and transition properties of the excited states, leading to the substantial acceleration of the reverse intersystem crossing (RISC) processes. Furthermore, the designed molecules with extended π-conjugations possess small reorganization energies and minimal nuclear displacements, coupled with short-range charge transfer characteristics. These features contribute significantly to the narrowband emissions. Therefore, it is verified that these four novel red MR TADF molecules strike a favorable balance between the ∆E<sub>ST</sub> and the FWHM values. Meanwhile, the intrinsic relationship between molecular structures and photophysical properties is elucidated, paving the way for developing novel and efficient red MR TADF emitters.</div></div>","PeriodicalId":10340,"journal":{"name":"Chinese Journal of Physics","volume":"94 ","pages":"Pages 736-750"},"PeriodicalIF":4.6,"publicationDate":"2025-02-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143527341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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}
引用次数: 0
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