Featured Column — DATA PAPER

     Chinese Physics B begins to accept and publish “Data Papers” in 2021. 

     Aiming to promote the sharing and reuse of physical data, the Data Paper is dedicated to publishing experimental, theoretical, and computational data (dataset or database) with high quality and reuse value in physics. The data will be deposited in an accredited data repository, and data records are linked in the Data Paper to facilitate data access.

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    Fully relativistic energies, transition properties, and lifetimes of lithium-like germanium
    Shuang Li(李双), Jing Zhou(周璟), Liu-Hong Zhu(朱柳红), Xiu-Fei Mei(梅秀菲), and Jun Yan(颜君)
    Chin. Phys. B, 2024, 33 (10): 103102.   DOI: 10.1088/1674-1056/ad7c30
    Abstract53)   HTML1)    PDF (628KB)(23)      
    Employing two fully relativistic methods, the multi-reference configuration Dirac-Hartree-Fock (MCDHF) method and the relativistic many-body perturbation theory (RMBPT) method, we report energies and lifetime values for the lowest 35 energy levels of the (1s$^2)nl$ configurations (where the principal quantum number $n = 2$-6 and the angular quantum number $l = 0$, …, $n-1$) of lithium-like germanium (Ge XXX), as well as complete data on the transition wavelengths, radiative rates, absorption oscillator strengths, and line strengths between the levels. Both the allowed (E1) and forbidden (magnetic dipole M1, magnetic quadrupole M2, and electric quadrupole E2) ones are reported. The results from the two methods are consistent with each other and align well with previous accurate experimental and theoretical findings. We assess the overall accuracies of present RMBPT results to be likely the most precise ones to date. The present fully relativistic results should be helpful for soft x-ray laser research, spectral line identification, plasma modeling and diagnosing. The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00135.
    Single crystal growth and characterization of 166-type magnetic kagome metals
    Huangyu Wu(吴黄宇), Jinjin Liu(刘锦锦), Yongkai Li(李永恺), Peng Zhu(朱鹏), Liu Yang(杨柳), Fuhong Chen(陈富红), Deng Hu(胡灯), and Zhiwei Wang(王秩伟)
    Chin. Phys. B, 2024, 33 (9): 098101.   DOI: 10.1088/1674-1056/ad553b
    Abstract103)   HTML1)    PDF (895KB)(114)      
    Kagome magnets were predicted to be a good platform to investigate correlated topology band structure, Chern quantum phase, and geometrical frustration due to their unique lattice geometry. Here we reported single crystal growth of 166-type kagome magnetic materials, including HfMn$_{6}$Sn$_{6}$, ZrMn$_{6}$Sn$_{6}$, GdMn$_{6}$Sn$_{6}$ and GdV$_{6}$Sn$_{6}$, by using the flux method with Sn as the flux. Among them, HfMn$_{6}$Sn$_{6}$ and ZrMn$_{6}$Sn$_{6}$ single crystals were grown for the first time. X-ray diffraction measurements reveal that all four samples crystallize in HfFe$_{6}$Ge$_{6}$-type hexagonal structure with space group P6/mmm. All samples show metallic behavior from temperature dependence of resistivity measurements, and the dominant carrier is hole, except for GdV$_{6}$Sn$_{6}$ which is electron dominated. All samples have magnetic order with different transition temperatures, HfMn$_{6}$Sn$_{6}$, ZrMn$_{6}$Sn$_{6}$ and GdV$_{6}$Sn$_{6}$ are antiferromagnetic with $T_{\rm N}$ of 541 K, 466 K and 4 K respectively, while GdMn$_{6}$Sn$_{6}$ is ferrimagnetic with the critical temperature of about 470 K. This study will enrich the research platform of magnetic kagome materials and help explore the novel quantum phenomena in these interesting materials. The dataset of specific crystal structure parameters for HfMn$_{6}$Sn$_{6}$ are available in Science Data Bank, with the link https://doi.org/10.57760/sciencedb.j00113.00120.
    Physics-embedded machine learning search for Sm-doped PMN-PT piezoelectric ceramics with high performance
    Rui Xin(辛睿), Yaqi Wang(王亚祺), Ze Fang(房泽), Fengji Zheng(郑凤基), Wen Gao(高雯), Dashi Fu(付大石), Guoqing Shi(史国庆), Jian-Yi Liu(刘建一), and Yongcheng Zhang(张永成)
    Chin. Phys. B, 2024, 33 (8): 087701.   DOI: 10.1088/1674-1056/ad51f3
    Abstract73)   HTML1)    PDF (818KB)(40)      
    Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_{3}$-PbTiO$_{3}$ (PMN-PT) piezoelectric ceramics have excellent piezoelectric properties and are used in a wide range of applications. Adjusting the solid solution ratios of PMN/PT and different concentrations of elemental doping are the main methods to modulate their piezoelectric coefficients. The combination of these controllable conditions leads to an exponential increase of possible compositions in ceramics, which makes it not easy to extend the sample data by additional experimental or theoretical calculations. In this paper, a physics-embedded machine learning method is proposed to overcome the difficulties in obtaining piezoelectric coefficients and Curie temperatures of Sm-doped PMN-PT ceramics with different components. In contrast to all-data-driven model, physics-embedded machine learning is able to learn nonlinear variation rules based on small datasets through potential correlation between ferroelectric properties. Based on the model outputs, the positions of morphotropic phase boundary (MPB) with different Sm doping amounts are explored. We also find the components with the best piezoelectric property and comprehensive performance. Moreover, we set up a database according to the obtained results, through which we can quickly find the optimal components of Sm-doped PMN-PT ceramics according to our specific needs.
    Electron capture and excitation in intermediate-energy He2+-H(1s,2s) collisions
    Yadong Liu(刘亚东), Congcong Jia(贾聪聪), Mingxuan Ma(马茗萱), Xiang Gao(高翔), Ling Liu(刘玲), Yong Wu(吴勇), Xiangjun Chen(陈向军), and Jianguo Wang(王建国)
    Chin. Phys. B, 2024, 33 (8): 083401.   DOI: 10.1088/1674-1056/ad5322
    Abstract81)   HTML1)    PDF (947KB)(51)      
    The semiclassical non-perturbative atomic orbital close-coupling approach has been employed to study the electron capture and excitation processes in He$^{2+}$-H(1s) and He$^{2+}$-H(2s) collision systems. In order to ensure the accuracy of our calculated cross sections, a large number of high excited states and pseudostates are included in the expansion basis sets which are centered on the target and projectile, respectively. The total and partial charge transfer and excitation cross sections are obtained for a wide-energy domain ranging from 1 keV/amu to 200 keV/amu. The present calculations are also compared with the results from other theoretical methods. These cross section data are useful for the investigation of astrophysics and laboratory plasma.
    The n-resolved single-electron capture in slow O6+-Ne collisions
    Shucheng Cui(崔述成), Dadi Xing(邢大地), Xiaolong Zhu(朱小龙), Maogen Su(苏茂根), Yong Gao(高永), Dalong Guo(郭大龙), Dongmei Zhao(赵冬梅), Shaofeng Zhang(张少锋), Yanbiao Fu(符彦飙), and Xinwen Ma(马新文)
    Chin. Phys. B, 2024, 33 (7): 073401.   DOI: 10.1088/1674-1056/ad39d2
    Abstract77)   HTML1)    PDF (1139KB)(42)      
    A study of single-electron capture (SEC) in 18-240 keV O$^{6+}$-Ne collisions has been conducted employing a combination of experimental and theoretical methodologies. Utilizing a reaction microscope, state-selective SEC cross sections and projectile scattering angle distributions were obtained. The translational energy spectra for SEC reveal the prevailing capture into $n=3$ states of the projectile ion, with a minor contribution from $n=4$ states. Notably, as the projectile's energy increases, the relative contribution of SEC $n=4$ states increases while that of SEC $n=3$ states diminishes. Furthermore, we computed state-selective relative cross sections and angular differential cross sections employing the classical molecular Coulomb over-the-barrier model (MCBM) and the multichannel Landau-Zener (MCLZ) model. A discernible discrepancy between the state-selective cross sections from the two theoretical models is apparent for the considered impact energies. However, regarding the angular differential cross sections, an overall agreement was attained between the current experimental results and the theoretical results from the MCLZ model.
    Prediction of impurity spectrum function by deep learning algorithm
    Ting Liu(刘婷), Rong-Sheng Han(韩榕生), and Liang Chen(陈亮)
    Chin. Phys. B, 2024, 33 (5): 057102.   DOI: 10.1088/1674-1056/ad3908
    Abstract143)   HTML3)    PDF (1420KB)(109)      
    By using the numerical renormalization group (NRG) method, we construct a large dataset with about one million spectral functions of the Anderson quantum impurity model. The dataset contains the density of states (DOS) of the host material, the strength of Coulomb interaction between on-site electrons ($U$), and the hybridization between the host material and the impurity site ($\varGamma$). The continued DOS and spectral functions are stored with Chebyshev coefficients and wavelet functions, respectively. From this dataset, we build seven different machine learning networks to predict the spectral function from the input data, DOS, $U$, and $\varGamma$. Three different evaluation indexes, mean absolute error (MAE), relative error (RE) and root mean square error (RMSE), are used to analyze the prediction abilities of different network models. Detailed analysis shows that, for the two kinds of widely used recurrent neural networks (RNNs), gate recurrent unit (GRU) has better performance than the long short term memory (LSTM) network. A combination of bidirectional GRU (BiGRU) and GRU has the best performance among GRU, BiGRU, LSTM, and BiLSTM. The MAE peak of ${\rm BiGRU+GRU}$ reaches 0.00037. We have also tested a one-dimensional convolutional neural network (1DCNN) with 20 hidden layers and a residual neural network (ResNet), we find that the 1DCNN has almost the same performance of the $\rm BiGRU+GRU$ network for the original dataset, while the robustness testing seems to be a little weak than ${\rm BiGRU+GRU}$ when we test all these models on two other independent datasets. The ResNet has the worst performance among all the seven network models. The datasets presented in this paper, including the large data set of the spectral function of Anderson quantum impurity model, are openly available at https://doi.org/10.57760/sciencedb.j00113.00192.
    Databases of 2D material-substrate interfaces and 2D charged building blocks
    Jun Deng(邓俊), Jinbo Pan(潘金波), and Shixuan Du(杜世萱)
    Chin. Phys. B, 2024, 33 (2): 026101.   DOI: 10.1088/1674-1056/ad0626
    Abstract147)   HTML6)    PDF (1152KB)(180)      
    Discovery of materials using "bottom-up" or "top-down" approach is of great interest in materials science. Layered materials consisting of two-dimensional (2D) building blocks provide a good platform to explore new materials in this respect. In van der Waals (vdW) layered materials, these building blocks are charge neutral and can be isolated from their bulk phase (top-down), but usually grow on substrate. In ionic layered materials, they are charged and usually cannot exist independently but can serve as motifs to construct new materials (bottom-up). In this paper, we introduce our recently constructed databases for 2D material-substrate interface (2DMSI), and 2D charged building blocks. For 2DMSI database, we systematically build a workflow to predict appropriate substrates and their geometries at substrates, and construct the 2DMSI database. For the 2D charged building block database, 1208 entries from bulk material database are identified. Information of crystal structure, valence state, source, dimension and so on is provided for each entry with a json format. We also show its application in designing and searching for new functional layered materials. The 2DMSI database, building block database, and designed layered materials are available in Science Data Bank at https://doi.org/10.57760/sciencedb.j00113.00188.
    State-selective charge exchange cross sections in collisions of highly-charged sulfur ions with helium and molecular hydrogen
    Xiaolong Zhu(朱小龙), Shucheng Cui(崔述成), Dadi Xing(邢大地), Jiawei Xu(徐佳伟), B. Najjari, Dongmei Zhao(赵冬梅), Dalong Guo(郭大龙), Yong Gao(高永), Ruitian Zhang(张瑞田), Maogen Su(苏茂根), Shaofeng Zhang(张少锋), and Xinwen Ma(马新文)
    Chin. Phys. B, 2024, 33 (2): 023401.   DOI: 10.1088/1674-1056/ad0b01
    Abstract147)   HTML6)    PDF (2055KB)(186)      
    The state-selective cross section data are useful for understanding and modeling the x-ray emission in celestial observations. In the present work, using the cold target recoil ion momentum spectroscopy, for the first time we investigated the state-selective single electron capture processes for ${\rm S}^{q+}$-He and H$_{2}$ ($q=11$-15) collision systems at an impact energy of $q\times 20 $ keV and obtained the relative state-selective cross sections. The results indicate that only a few principal quantum states of the projectile energy level are populated in a single electron capture process. In particular, the increase of the projectile charge state leads to the population of the states with higher principal quantum numbers. It is also shown that the experimental averaged $n$-shell populations are reproduced well by the over-barrier model. The database is openly available in Science Data Bank at 10.57760/sciencedb.j00113.00091.
    Benchmarking calculations of excitation energies and transition properties with spectroscopic accuracy of highly charged ions used for the fusion plasma and astrophysical plasma
    Chunyu Zhang(张春雨), Kai Wang(王凯), Ran Si(司然), Jinqing Li(李金晴), Changxian Song(宋昌仙), Sijie Wu(吴思捷), Bishuang Yan(严碧霜), and Chongyang Chen(陈重阳)
    Chin. Phys. B, 2023, 32 (11): 113102.   DOI: 10.1088/1674-1056/acef07
    Abstract152)   HTML3)    PDF (1350KB)(164)      
    Atomic radiative data such as excitation energies, transition wavelengths, radiative rates, and level lifetimes with high precision are the essential parameters for the abundance analysis, simulation, and diagnostics in fusion and astrophysical plasmas. In this work, we mainly focus on reviewing our two projects performed in the past decade. One is about the ions with $Z\lesssim 30$ that are generally of astrophysical interest, and the other one is about the highly charged krypton (Z=36) and tungsten (Z=74) ions that are relevant in research of magnetic confinement fusion. Two different and independent methods, namely, multiconfiguration Dirac-Hartree-Fock (MCDHF) and the relativistic many-body perturbation theory (RMBPT) are usually used in our studies. As a complement/extension to our previous works for highly charged tungsten ions with open M-shell and open N-shell, we also mainly focus on presenting and discussing our complete RMBPT and MCDHF calculations for the excitation energies, wavelengths, electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) transition properties, and level lifetimes for the lowest 148 levels belonging to the 3l3 configurations in Al-like W61+. We also summarize the uncertainties of our systematical theoretical calculations, by cross-checking/validating our datasets from our RMBPT and MCDHF calculations, and by detailed comparisons with available accurate observations and other theoretical calculations. The data are openly available in Science Data Bank at https://doi.org/10.57760/sciencedb.10569.
    An effective method to calculate the electron impact excitation cross sections of helium from ground state to a final channel in the whole energy region
    Rui Sun(孙瑞), De-Ling Zeng(曾德灵), Rui Jin(金锐), Xiao-Ying Han(韩小英), Xiang Gao(高翔), and Jia-Ming Li(李家明)
    Chin. Phys. B, 2023, 32 (11): 113401.   DOI: 10.1088/1674-1056/acf11f
    Abstract185)   HTML1)    PDF (665KB)(105)      
    The electron impact excitation (EIE) cross sections of an atom/ion in the whole energy region are needed in many research fields, such as astrophysics studies, inertial confinement fusion researches and so on. In the present work, an effective method to calculate the EIE cross sections of an atom/ion in the whole energy region is presented. We use the EIE cross sections of helium as an illustration example. The optical forbidden 11S-n1S (n = 2-4) and optical allowed 11S-n1P (n=2-4) excitation cross sections are calculated in the whole energy region using the scheme that combines the partial wave R-matrix method and the first Born approximation. The calculated cross sections are in good agreement with the available experimental measurements. Based on these accurate cross sections of our calculation, we find that the ratios between the accurate cross sections and Born cross sections are nearly the same for different excitation final states in the same channel. According to this interesting property, a universal correction function is proposed and given to calculate the accurate EIE cross sections with the same computational efforts of the widely used Born cross sections, which should be very useful in the related application fields. The datasets presented in this paper are openly available at https://www.doi.org/10.57760/sciencedb.j00113.00142.
    Oscillator strength and cross section study of the valence-shell excitations of NO2 by fast electron scattering
    Qiang Sun(孙强), Jin-Feng Chen(陈锦峰), Zhi-Wei Nie(聂智伟), Jian-Hui Zhu(朱剑辉), and Lin-Fan Zhu(朱林繁)
    Chin. Phys. B, 2023, 32 (11): 113402.   DOI: 10.1088/1674-1056/acf5d6
    Abstract176)   HTML0)    PDF (1926KB)(92)      
    Oscillator strengths and cross sections of the valence-shell excitations in NO2 are of great significance in testing the theoretical calculations and monitoring the state of the ozone layer in the earth's atmosphere. In the present work, the generalized oscillator strengths of the valence-shell excitations in NO2 were obtained based on the fast electron scattering technique at an incident electron energy of 1.5 keV and an energy resolution of about 70 meV. By extrapolating the generalized oscillator strengths to the limit of a zero squared momentum transfer, the optical oscillator strengths for the dipole-allowed transitions have been obtained, which provide an independent cross check to the previous experimental results. Based on the BE-scaling method, the corresponding integral cross sections have also been derived systematically from the excitation threshold to 5000 eV. The present dynamic parameters can provide the fundamental spectroscopic data of NO2 and have important applications in the studies of atmospheric science. The datasets presented in this paper, including the GOSs, OOSs and ICSs, are openly available at https://doi.org/10.57760/sciencedb.j00113.00156.
    Mutual neutralization in low-energy collisions of Na+ + H- ions
    Kun Wang(王堃), Chuan Dong(董川), Yizhi Qu(屈一至), Yong Wu(吴勇), Xiaohe Lin(林晓贺), and Robert J. Buenker
    Chin. Phys. B, 2023, 32 (8): 083103.   DOI: 10.1088/1674-1056/acd624
    Abstract216)   HTML2)    PDF (768KB)(115)      
    The low-energy mutual neutralization (MN) reactions Na+ + H- →Na(nl) + H have been studied by employing the full quantum-mechanical molecular-orbital close-coupling (QMOCC) method over a wide energy range of 10-3-103 eV/u. Total and state-selective cross sections have been investigated and compared with the available theoretical and experimental data, and the state-selective rate coefficients for the temperature range of 100-10000 K have been obtained. In the present work, all the necessary highly excited states are included, and the influences of rotational couplings and 10 active electrons are considered. It is found that in the energy below 10 eV/u, the Na(4s) state is the most dominant exit state with a contribution of approximately 78% to the branch fraction, which is in best agreement with the experimental data. For energies above 10 eV/u, the MN total cross section is larger than those obtained in other theoretical calculations and shows a slow decreasing trend because the main exit states change, when the energy is above 100 eV/u, the dominant exit state becomes the Na(3p) state, while the Na(4s) state becomes the third most important exit state. The datasets presented in this paper, including the potential energy curve, the radial and rotational couplings, the total and state-selective cross sections, are openly available at https://doi.org/10.57760/sciencedb.j00113.00112.
    A simple semiempirical model for the static polarizability of ions
    Alexander S Sharipov and Boris I Loukhovitski
    Chin. Phys. B, 2023, 32 (8): 083301.   DOI: 10.1088/1674-1056/acd2b2
    Abstract190)   HTML2)    PDF (1038KB)(129)      
    A concise analytical model for the static dipole polarizability of ionized atoms and molecules is created for the first time. As input, it requires, alongside the polarizability of neutral counterpart of a given ion, only the charge and elemental composition. This physically motivated semiempirical model is based on a number of established regularities in polarizability of charged monatomic and polyatomic compounds. In order to adjust it, the results of quantum chemistry calculations and gas-phase measurements available for a broad range of ionized multielectron species are employed. To counteract the appreciable bias in the literature data toward polarizability of monoatomic ions, for some molecular ions of general concern the results of the authors' own density functional theory calculations are additionally invoked. A total of 541 data points are used to optimize the model. It is demonstrated that the model we suggested has reasonable (given the substantial uncertainties of the reference data) accuracy in predicting the static isotropic polarizability of arbitrarily charged ions of any size and atomic composition. The resulting polarizability estimates are found to achieve a coefficient of determination of 0.93 for the assembled data set. The created analytic tool is universally applicable and might be advantageous for some applications where there is an urgent need for rapid low-cost evaluation of the static gas-phase polarizability of ionized atoms and molecules. This is especially relevant to constructing the complex models of nonequilibrium chemical kinetics aimed at precisely describing the observable refractive index (dielectric permittivity) of plasma flows. The data sets that support the findings of this study are openly available in Science Data Bank at https://doi.org/10.57760/sciencedb.07526.
    Absolute dielectronic recombination rate coefficients of highly charged ions at the storage ring CSRm and CSRe
    Zhongkui Huang(黄忠魁), Shuxing Wang(汪书兴), Weiqiang Wen(汶伟强), Hanbing Wang(汪寒冰), Wanlu Ma(马万路), Chongyang Chen(陈重阳), Chunyu Zhang(张春雨), Dongyang Chen(陈冬阳), Houke Huang(黄厚科), Lin Shao(邵林), Xin Liu(刘鑫), Xiaopeng Zhou(周晓鹏), Lijun Mao(冒立军), Jie Li(李杰), Xiaoming Ma(马晓明), Meitang Tang(汤梅堂), Jiancheng Yang(杨建成), Youjin Yuan(原有进), Shaofeng Zhang(张少锋), Linfan Zhu(朱林繁), and Xinwen Ma(马新文)
    Chin. Phys. B, 2023, 32 (7): 073401.   DOI: 10.1088/1674-1056/acbc69
    Abstract199)   HTML2)    PDF (3175KB)(114)      
    Dielectronic recombination (DR) is one of the dominant electron-ion recombination mechanisms for most highly charged ions (HCIs) in cosmic plasmas, and thus, it determines the charge state distribution and ionization balance therein. To reliably interpret spectra from cosmic sources and model the astrophysical plasmas, precise DR rate coefficients are required to build up an accurate understanding of the ionization balance of the sources. The main cooler storage ring (CSRm) and the experimental cooler storage ring (CSRe) at the Heavy-Ion Research Facility in Lanzhou (HIRFL) are both equipped with electron cooling devices, which provide an excellent experimental platform for electron-ion collision studies for HCIs. Here, the status of the DR experiments at the HIRFL-CSR is outlined, and the DR measurements with Na-like Kr25+ ions at the CSRm and CSRe are taken as examples. In addition, the plasma recombination rate coefficients for Ar12+, 14+, Ca14+, 16+, 17+, Ni19+, and Kr25+ ions obtained at the HIRFL-CSR are provided. All the data presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00113.00092.
    Asymmetry parameters in single ionization of He, Ne by XUV pulses
    Jian-Ting Lei(雷建廷), Xuan Yu(余璇), Guo-Qiang Shi(史国强), Chen-Yu Tao(陶琛玉), Shao-Hua Sun(孙少华), Shun-Cheng Yan(闫顺成), Xin-Wen Ma(马新文), Jing-Jie Ding(丁晶洁), and Shao-Feng Zhang(张少锋)
    Chin. Phys. B, 2023, 32 (5): 053205.   DOI: 10.1088/1674-1056/aca6d9
    Abstract229)   HTML7)    PDF (1713KB)(150)      
    Fully differential cross-sections of single ionization of He and Ne atoms are studied by linearly polarized extreme ultraviolet (XUV) photons in the energy range of 22.1 eV-43.7 eV, using a reaction microscope. Photoelectron angular distributions and the $\beta $ asymmetry parameters for He 1s$^{2}$ electrons prove the reliability of our experiment, and the $\beta $ asymmetry parameters extracted from the angular distributions of Ne 2p$^{6}$ electrons are obtained. By comparing with different theoretical calculations, it is found that the contribution of the electron correlation effect in Ne 2p$^{6}$ single ionization becomes increasingly important as the incident photon energy increases, while the relativistic effect is relatively low in the whole incident energy range. Our experimental $\beta $ asymmetry parameters may serve as a significant reference to test the most elaborated theories in the field. The datasets presented in this paper, including the photoelectron angular distributions and $\beta $ asymmetry parameters, are openly available at https://doi.org/10.57760/sciencedb.j00113.00073.
    Evaluating thermal expansion in fluorides and oxides: Machine learning predictions with connectivity descriptors
    Yilin Zhang(张轶霖), Huimin Mu(穆慧敏), Yuxin Cai(蔡雨欣), Xiaoyu Wang(王啸宇), Kun Zhou(周琨), Fuyu Tian(田伏钰), Yuhao Fu(付钰豪), and Lijun Zhang(张立军)
    Chin. Phys. B, 2023, 32 (5): 056302.   DOI: 10.1088/1674-1056/accdca
    Abstract284)   HTML6)    PDF (1865KB)(274)      
    Open framework structures (e.g., ScF3, Sc2W3O12, etc.) exhibit significant potential for thermal expansion tailoring owing to their high atomic vibrational degrees of freedom and diverse connectivity between polyhedral units, displaying positive/negative thermal expansion (PTE/NTE) coefficients at a certain temperature. Despite the proposal of several physical mechanisms to explain the origin of NTE, an accurate mapping relationship between the structural-compositional properties and thermal expansion behavior is still lacking. This deficiency impedes the rapid evaluation of thermal expansion properties and hinders the design and development of such materials. We developed an algorithm for identifying and characterizing the connection patterns of structural units in open-framework structures and constructed a descriptor set for the thermal expansion properties of this system, which is composed of connectivity and elemental information. Our developed descriptor, aided by machine learning (ML) algorithms, can effectively learn the thermal expansion behavior in small sample datasets collected from literature-reported experimental data (246 samples). The trained model can accurately distinguish the thermal expansion behavior (PTE/NTE), achieving an accuracy of 92%. Additionally, our model predicted six new thermodynamically stable NTE materials, which were validated through first-principles calculations. Our results demonstrate that developing effective descriptors closely related to thermal expansion properties enables ML models to make accurate predictions even on small sample datasets, providing a new perspective for understanding the relationship between connectivity and thermal expansion properties in the open framework structure. The datasets that were used to support these results are available on Science Data Bank, accessible via the link https://doi.org/10.57760/sciencedb.j00113.00100.
    Theoretical study of electron-impact broadening for highly charged Ar XV ion lines
    Chao Wu(吴超), Xiang Gao(高翔), Yu-Hao Zhu(朱宇豪), Xiao-Ying Han(韩小英), Bin Duan(段斌),Ju Meng(孟举), Song-Bin Zhang(张松斌), Jun Yan(颜君), Yong Wu(吴勇), and Jian-Guo Wang(王建国)
    Chin. Phys. B, 2023, 32 (5): 053101.   DOI: 10.1088/1674-1056/acb769
    Abstract235)   HTML4)    PDF (1069KB)(241)      
    Spectral line widths produced by collisions between charged particles and emitters are of special interest for precise plasma spectroscopy. The highly charged Ar XV ion is demonstrated to have strong intrashell electron interactions, which manifest as an atomic system with many resonance structures, due to the quasi-degeneracy of orbital energies. In this paper we use the relativistic R-matrix method to investigate the electron-impact broadening of highly charged Ar XV ion spectral lines under the impact approximation. It is found that the results considering resonance structures are significantly different from those of the distorted wave approach. Furthermore, we propose a new empirical formula with a correction term to take into account the effect of resonances for electron-impact widths over a relatively wide range of plasma conditions. The corresponding fitting parameters of the new empirical formula for all 47 calculated transitions are also given with an estimated accuracy within 1%, which should be convenient for practical applications. The dataset that supported the findings of this study is available in Science Data Bank, with the link https://doi.org/10.57760/sciencedb.j00113.00101.
    Optical spectroscopy of CrO and electronic states of the Cr group metal monoxides
    Lei Zhang(张磊), Yao Yu(于尧), Xinwen Ma(马新文), and Jie Yang(杨杰)
    Chin. Phys. B, 2023, 32 (5): 053301.   DOI: 10.1088/1674-1056/acb763
    Abstract207)   HTML8)    PDF (1540KB)(100)      
    All of the experimentally known electronic states of the Cr group metal monoxides (CrO, MoO, and WO) have been presented in the paper. The optical spectra of the CrO molecule have been investigated in the gas phase through a combination of the laser-induced fluorescence (LIF) excitation and single-vibronic-level (SVL) emission spectroscopy in the supersonic expansion. The rotational constants of the vibronic electronic states, including ${\rm X}\,{}^{5}\Pi_{-1}$ ($v'' = 0$-3), ${\rm B}\,{}^{5}\Pi _{-1}$ ($v^\prime =0$-10), and ${\rm B}\,{}^{5}\Pi_{1}$ ($v^\prime = 1$, 5), and the vibrational constants of the spin-orbit components ${\rm X}\,{}^{5}\Pi _{-1,0,1}$ have been obtained. The molecular constants of the MoO and WO molecules have been summarized by reviewing the previous spectroscopic studies, and a comprehensive energy level diagram of the Cr group metal monoxides has been constructed. By comparing the electronic configurations, bond lengths, and vibrational frequencies of all the transition metal monoxides in the ground electronic state, the significance of the relativistic effect in the bonding of the 5d transition metal monoxides has been discussed. The related spectroscopic data of the CrO molecule are available at https://doi.org/10.57760/sciencedb.j00113.00085.
    Measuring stellar populations, dust attenuation and ionized gas at kpc scales in 10010 nearby galaxies using the integral field spectroscopy from MaNGA
    Niu Li(李牛) and Cheng Li(李成)
    Chin. Phys. B, 2023, 32 (3): 039801.   DOI: 10.1088/1674-1056/acb0ba
    Abstract358)   HTML7)    PDF (1004KB)(245)      
    As one of the three major experiments of the fourth-generation Sloan Digital Sky Survey (SDSS-IV), the Mapping Nearby Galaxies at Apatch Point Observatory (MaNGA) survey has obtained high-quality integral field spectroscopy (IFS) with a resolution of 1-2 kpc for ~104 galaxies in the local universe during its six-year operation from July 2014 through August 2020. It is crucial to reliably measure the physical properties of the different components in each spectrum before one can use the data for any scientific study. In the past years we have made lots of efforts to develop a novel technique of full spectral fitting, which estimates a model-independent dust attenuation curve from each spectrum, thus allowing us to break the degeneracy between dust attenuation and stellar population properties when fitting the spectrum with stellar population synthesis models. We have applied our technique to the final data release of MaNGA, and obtained measurements of stellar population properties and emission line parameters, as well as the kinematics and dust attenuation of both stellar and ionized gas components. In this paper we describe our technique and the content and format of our data products. The whole dataset is publicly available in Science Data Bank with the link https://doi.org/10.57760/sciencedb.j00113.00088.
    Atlas of dynamic spectra of fast radio burst FRB 20201124A
    Bo-Jun Wang(王铂钧), Heng Xu(胥恒), Jin-Chen Jiang(姜金辰), Jiang-Wei Xu(徐江伟), Jia-Rui Niu(牛佳瑞), Ping Chen(陈平), Ke-Jia Lee(李柯伽), Bing Zhang(张冰), Wei-Wei Zhu(朱炜玮), Su-Bo Dong(东苏勃), Chun-Feng Zhang(张春风), Hai Fu(傅海), De-Jiang Zhou(周德江), Yong-Kun Zhang(张永坤), Pei Wang(王培), Yi Feng(冯毅), Ye Li(李晔), Dong-Zi Li(李冬子), Wen-Bin Lu(鲁文宾), Yuan-Pei Yang(杨元培), R. N. Caballero, Ce Cai(蔡策), Mao-Zheng Chen(陈卯蒸), Zi-Gao Dai(戴子高), A. Esamdin(艾力·伊沙木丁), Heng-Qian Gan(甘恒谦), Jin-Lin Han(韩金林), Long-Fei Hao(郝龙飞), Yu-Xiang Huang(黄玉祥), Peng Jiang(姜鹏), Cheng-Kui Li(李承奎), Di Li(李菂), Hui Li(李辉), Xin-Qiao Li(李新乔), Zhi-Xuan Li(李志玄), Zhi-Yong Liu(刘志勇), Rui Luo(罗睿), Yun-Peng Men(门云鹏), Chen-Hui Niu(牛晨辉), Wen-Xi Peng(彭文溪), Lei Qian(钱磊), Li-Ming Song(宋黎明), Jing-Hai Sun(孙京海), Fa-Yin Wang(王发印), Min Wang(汪敏), Na Wang(王娜), Wei-Yang Wang(王维扬), Xue-Feng Wu(吴雪峰), Shuo Xiao(肖硕), Shao-Lin Xiong(熊少林), Yong-Hua Xu(徐永华), Ren-Xin Xu(徐仁新), Jun Yang(杨俊), Xuan Yang(杨轩), Rui Yao(姚蕊), Qi-Bin Yi(易祁彬), You-Ling Yue(岳友岭), Dong-Jun Yu(于东俊), Wen-Fei Yu(余文飞), Jian-Ping Yuan(袁建平), Bin-Bin Zhang(张彬彬), Song-Bo Zhang(张松波), Shuang-Nan Zhang(张双南), Yi Zhao(赵一), Wei-Kang Zheng(郑伟康), Yan Zhu(朱岩), and Jin-Hang Zou(邹金航)
    Chin. Phys. B, 2023, 32 (2): 029801.   DOI: 10.1088/1674-1056/aca7ed
    Abstract380)   HTML10)    PDF (1500KB)(256)      
    Fast radio bursts (FRBs) are highly dispersed millisecond-duration radio bursts,[1,2] of which the physical origin is still not fully understood. FRB 20201124A is one of the most actively repeating FRBs. In this paper, we present the collection of 1863 burst dynamic spectra of FRB 20201124A measured with the Five-hundred-meter Aperture Spherical radio Telescope (FAST). The current collection, taken from the observation during the FRB active phase from April to June 2021, is the largest burst sample detected for any FRB so far. The standard PSRFITs format is adopted, including dynamic spectra of the burst, and the time information of the dynamic spectra, in addition, mask files help readers to identify the pulse positions are also provided. The dataset is available in Science Data Bank, with the link https://www.doi.org/10.57760/sciencedb.j00113.00076.