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arXiv 2024年

作者： Shen, Jiale Liu, Haitao Li, Yuanchang Advanced Research Institute of Multidisciplinary Science Beijing Institute of Technology Beijing100081 China Institute of Applied Physics and Computational Mathematics Beijing100088 China National Key Laboratory of Computational Physics Beijing100088 China

Gap opening remains elusive in copper chalcogenides (Cu2X, X = S, Se and Te), not least because Hubbard + U, hybrid functional and GW methods have also failed. In this work, we elucidate that their failure originates from a severe underestimation of the 4s-3d orbital splitting of the Cu atom, which leads to a band-order inversion in the presence of an anionic crystal field. As a result, the Fermi energy is pinned due to symmetry, yielding an invariant zero gap. Utilizing the hybrid pseudopotentials to correct the underestimation on the atomic side opens up gaps of experimental magnitude in Cu2X, suggesting their predominantly electronic nature. Our work not only clarifies the debate about the Cu2X gap, but also provides a way to identify which of the different methods really captures the physical essence and which is the result of error cancellation. © 2024, CC BY.

关键词： Copper

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Stable phases of freestanding monolayer TiO2: The emergence of out-of-plane ferroelectricity

arXiv

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arXiv 2024年

作者： Bu, Xiangtian Liu, Haitao Li, Yuanchang Advanced Research Institute of Multidisciplinary Science Beijing Institute of Technology Beijing100081 China Institute of Applied Physics and Computational Mathematics Beijing100088 China National Key Laboratory of Computational Physics Beijing100088 China

Despite being successfully synthesized [Zhang et al., Nat. Mater. 20, 1073 (2021)], the monolayer structure of stable hexagonal TiO2 is unknown, and it is not even clear whether it can exist in a freestanding form. Through first-principles calculations, we have identified two previously uncharted stable structures, namely, distorted 1×√3 1T-TiO2 and √3×√3 1T-TiO2, both of which are energetically more favourable than commonly adopted 1H and 1T phases. Here structural distortions are characterized by the out-of-plane shifts of Ti atoms due to the pseudo-Jahn-Teller interactions, which break one and all two inversion symmetries of 1T configuration. As a consequence, the 1×√3 1T remains centrosymmetric while the √3×√3 1T exhibits out-of-plane ferroelectricity. Electronic structure calculations show that both two are wide-bandgap semiconductors with bandgaps larger than their bulk counterparts. Our study not only deepens the understanding of structural instability in wide-gap semiconductors but also adds a new member to the rare family of two-dimensional out-of-plane ferroelectrics. © 2024, CC BY.

关键词： Titanium dioxide

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Low temperature (002)-oriented zinc oxide films prepared using ozone-based spatial atomic layer deposition

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Ceramics International 2024年第15期50卷 26770-26779页

作者： Wu, Wen-Bin Hsu, Chia-Hsun Yue, Xin-Xiang Zhang, Wen-Zhi Zhang, Jing Zhang, Xiao-Ying Gao, Peng Wu, Wan-Yu Wuu, Dong-Sing Lai, Feng-Min Lien, Shui-Yang Xiamen Key Laboratory of Development and Application for Advanced Semiconductor Coating Technology School of Opto-electronic and Communication Engineering Xiamen University of Technology Xiamen361024 China Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fujian Fuzhou350002 China Department of Materials Science and Engineering National United University Miaoli36063 Taiwan Department of Applied Materials and Optoelectronic Engineering National Chi Nan University Nantou54561 Taiwan Department of Biomedical Engineering Da-Yeh University Changhua51591 Taiwan

In this study, ZnO films are prepared at a low temperature of 150 °C by using spatial atomic layer deposition (sALD) with diethylzinc and ozone as precursor and oxidant. The ozone flow rate is varied to systematically investigate its effect on optical, structural and electrical properties. The experimental results show that the self-limiting surface reactions can occur at the low ozone flow rate of 200 sccm, confirming ALD growth mode. All the ozone flow rates lead to ZnO (002) crystalline orientation, which is difficult to be obtained for conventional water-based ALD ZnO films at the low temperature. The increased ozone flow rate results in an increased amount of oxygen vacancies, enhanced carrier concentration and a reduced stress. The resistivity and carrier concentration can be tuned in the range of 4.75–0.08 Ω-cm and (1.1–5.5) × 1018 cm−3. Finally, the sALD ZnO film on polyethylene terephthalate reveals a high stability in the film property against bending. This study is beneficial for the utilization of ZnO films in optoelectronic devices that demand the (002) preferred orientation, especially under low-temperature conditions. © 2024 Elsevier Ltd and Techna Group S.r.l.

关键词： Zinc oxide

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A Study on Seizure Detection Performance in an Automated Process by Extracting Entropy Features 5

A Study on Seizure Detection Performance in an Automated Pro...

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5th International Conference on Signal Processing and Information Security, ICSPIS 2022

作者： Parui, Sricheta Samanta, Debasis Chakravorty, Nishant Mansoor, Wathiq Ghosh, Uttam Indian Institute of Technology Advanced Technology Development Centre Kharagpur India Indian Institute of Technology Department of Computer Science and Engineering Kharagpur India Indian Institute of Technology School of Medical Science and Technology Kharagpur India University of Dubai Dubai United Arab Emirates Meharry School of Applied Computational Sciences NashvilleTN United States

ISBN: (纸本)9781665492652

Millions of people of all ages have been diagnosed with epilepsy all over the world. Electroencephalography (EEG), a quantitative component, is vital in identifying and analyzing epileptic seizures. Manual EEG detection takes a long time and has serious consequences. To prevent this circumstance, the world needs alternative detection technologies. For more than a decade, several strategies and procedures have been used to assist medical doctors in detecting technological improvement. Numerous automated seizure identification frameworks that use machine learning approaches have recently been presented to replace traditional methodologies. However, because multichannel EEG data is unpredictable, selecting optimal channels as well as characteristics and classifying them remain unsolved issues. During automatic signaling, the gadget also emits a noisy signal, making detection and prediction challenging. In this paper, we have tested various entropy features and selected the best features to classify seizure patients. First, we preprocessed the data using IMF of the raw signal, and then entropy features were extracted to classify the epileptic patients. The proposed channel selection method, SVM-GA, works well with our framework and successfully removes redundant channels from the data. © 2022 IEEE.

关键词： Electroencephalography

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Isomerization in highly excited states of triply charged carbon dioxide ions produced by intense laser fields

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Physical Review A 2024年第5期110卷 053110-053110页

作者： Ruichao Dong Ahai Chen Jinze Feng Shuai Zhang Wenbin Jiang Xiaoqing Hu Yong Wu Jianguo Wang Xincheng Wang Shanghai Advanced Research Institute Chinese Academy of Sciences Shanghai 201210 China University of Chinese Academy of Sciences Beijing 100049 China Center for Transformative Science and School of Physical Science and Technology ShanghaiTech University Shanghai 201210 China National Key Laboratory of Computational Physics Institute of Applied Physics and Computational Mathematics Beijing 100088 China

It is commonly accepted that the isomerization process primarily occurs in lowly charged molecular states, while highly charged states typically favor a direct fragmentation pathway through Coulomb repulsion. In the current experiment with an intense 800-nm laser field, a three-body isomerization pathway leading to intermediate O22+ formation and subsequent dissociation is observed in highly excited states of CO23+. It is confirmed by the calculated potential energy curves that CO23+ molecular ions in highly excited states with a linear geometry could transition through conical intersections into low-lying states with a bond angle around 70∘ (e.g., 62A1→12A1, 102B1→12B1), finally leading to oxygen molecule ions formation via isomerization. The present findings demonstrate that isomerization-induced change in molecular structures is a universal and nonnegligible phenomenon, even in triply charged molecular ions, providing insights into the photoinduced ultrafast processes in Earth's primitive atmosphere and benefit the understanding of CO2-dominated planetary atmospheres.

关键词： Photodissociation

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Parity effects in Rydberg-state excitation in intense laser fields

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Photonics research 2024年第12期12卷 3033-3039页

作者： YANG LIU XIAOPENG YI QI CHEN TIAN SUN HANG LV SHILIN HU WILHELM BECKER HAIFENG XU JING CHEN Institute of Atomic and Molecular Physics Jilin UniversityChangchun 130012China Institute of Applied Physics and Computational Mathematics Beijing 100088China Research Center for Advanced Optics and Photoelectronics Department of PhysicsCollege of ScienceShantou UniversityShantou 515063China Key Laboratory of Intelligent Manufacturing Technology of MOE Shantou UniversityShantou 515063China Max-Born-Institut 12489 BerlinGermany Hefei National Laboratory Department of Modern PhysicsUniversity of Science and Technology of ChinaHefei 230026China Shenzhen Key Laboratory of Ultraintense Laser and Advanced Material Technology Center for Advanced Material Diagnostic Technologyand College of Engineering PhysicsShenzhen Technology UniversityShenzhen 518118China

Conservation of parity plays a fundamental role in our understanding of various quantum ***,it is difficult to observe in atomic and molecular processes induced by a strong laser field due to their multiphoton character and the large number of states *** we report an effect of parity in strong-field Rydberg-state excitation(RSE)by comparing the RSE probabilities of the N_(2) molecule and its companion atom Ar,which has a similar ionization potential but opposite parity of its ground ***,we observe an oscillatory structure as a function of intensity with a period of about 50 TW∕cm^(2) in the ratio between the RSE yields of the two species,which can be reproduced by simulations using the time-dependent Schrödinger equation(TDSE).We analyze a quantum-mechanical model,which allows for interference of electrons captured in different spatial regions of the Rydberg-state wave *** the intensity-dependent RSE yield,it results in peaks with alternating heights with a spacing of 25 TW∕cm^(2) and at the same intensity for both ***,due to the opposite parities of their ground states,pronounced RSE peaks in Ar correspond to less pronounced peaks in N_(2) and vice versa,which leads to the period of 50 TW∕cm^(2) in their *** work reveals a novel parity-related interference effect in the coherent-capture picture of the RSE process in intense laser fields.

关键词： function parity Rydberg

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Impact of Cation Vacancies on Leakage Current on TiN/ZrO2/TiN Capacitors Studied by Positron Annihilation 29

Impact of Cation Vacancies on Leakage Current on TiN/ZrO2/Ti...

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29th International Symposium on Semiconductor Manufacturing, ISSM 2022

作者： Uedono, Akira Takahashi, Naomichi Hasunuma, Ryu Harashima, Yosuke Shigeta, Yasuteru Ni, Zeyuan Matsui, Hidefumi Notake, Akira Kubo, Atsushi Moriya, Tsuyoshi Michishio, Koji Oshima, Nagayasu Ishibashi, Shoji University of Tsukuba Faculty of Pure and Applied Science Ibaraki Tsukuba305-8573 Japan Graduate School of Science and Technology Nara Institute of Science and Technology Ikoma Nara630-0192 Japan Tokyo Electron Technology Solutions Ltd. S-Technology Development Center Yamanashi Nirasaki407-0192 Japan Tokyo Electron Ltd. SDC AI Development Department Hokkaido Sapporo060-0003 Japan Tokyo Electron Ltd. Advanced Data Planning Department Tokyo107-6325 Japan Research Institute for Measurement and Analytical Instrumentation National Institute of Advanced Industrial Science and Technology Ibaraki Tsukuba305-8568 Japan National Institute of Advanced Industrial Science and Technology Research Center for Computational Design of Advanced Functional Materials Ibaraki Tsukuba305-8568 Japan

ISBN: (纸本)9781665471336

TiN/ZrO2/TiN capacitors were characterized using XRD, STEM, EDX, and monoenergetic positron beams. For an as-deposited ZrO2 layer, an interlayer was formed in the layer. After post-deposition annealing at 550°C, the width of the interlayer expanded. The major vacancy-type defects in the ZrO2 layer were determined to be a Zr-vacancy coupled with oxygen vacancies by the positron annihilation technique. After annealing, the size of these vacancies increased. The presence of the cation vacancies and their complexes in the ZrO2 layer suggests that not only oxygen vacancies but also such defects play a role in the defect formation of the ZrO2 layer and affect its electrical properties. © 2022 IEEE.

关键词： Electrons

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Strategies for Semi-Automated Registration of Historic Aerial Photographs Utilizing Street and Roof Segmentations as Durable Landmarks 34

Strategies for Semi-Automated Registration of Historic Aeria...

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34th European Modeling and Simulation Symposium, EMSS 2022

作者： Zwettler, Gerald A. Ono, Yuta Stradner, Michael Praschl, Christoph Research Group Advanced Information Systems and Technology Research and Development Department University of Applied Sciences Upper Austria Graduate School of Software and Information Science Iwate Prefectural University Japan Department of Software Engineering School of Informatics Communications and Media University of Applied Sciences Upper Austria

Historical and current aerial photographs are only of great value if the geolocation or address of the photographed areas is also available. In Western Europe, especially Austria, Germany and Czech Republic, there is a market for the sale of aerial photographs of one’s own private residential building. Automated geolocation is a feasible way to enable the sales agents to assign the addresses for the sale more quickly. In the course of this research work, a process chain is modeled that allows the assignment of aerial photographs to residential addresses using machine vision. After model-based rectifying the aerial images to compensate for perspective distortions, larger image blocks get assembled using image stitching. The assignment to a 2D reference map, such as satellite imagery via Google Maps, is done by applying a U-Net CNN after extracting durable image features such as roads or buildings. The mapping of aerial imagery to two-dimensional cartography is either automated via registration approaches or based on manually placed corresponding landmarks and homography. Test runs on imagery between the years 1969 and 2020 show that the labor-intensive process of geolocation of aerial imagery can be solved by the proposed process model in a hybrid way. © 2022 The Authors.

关键词： Antennas

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Integrated multi-mode glass ceramicﬁber for high-resolution temperature sensing

Advanced Powder Materials

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advanced Powder Materials 2023年第4期2卷 54-62页

作者： Yongsheng Sun Meihua Chen Puxian Xiong Yuzhen Wang Shuhang Tian Qingquan Jiang Yao Xiao Hongyou Zhou Peishan Shao Qiuqiang Zhan Jiulin Gan Qi Qian Dongdan Chen Zhongmin Yang School of Materials Science and Engineering School of Physics and OptoelectronicsState Key Laboratory of Luminescent Materials and DevicesInstitute of Optical Communication MaterialsGuangdong Engineering Technology Research and Development Center of Special Optical Fiber Materials and DevicesAnd Guangdong Provincial Key Laboratory of Fiber Laser Materials and Applied TechniquesSouth China University of TechnologyGuangzhou 510641China Centre for Optical and Electromagnetic Research National Center for International Research on Green OptoelectronicsSouth China Academy of Advanced OptoelectronicsMOE Key Laboratory&Guangdong Provincial Key Laboratory of Laser Life ScienceSouth China Normal UniversityGuangzhou 510631China

Optical temperature sensors,which can accurately detect temperature in biological systems,are crucial to the development of healthcare *** challenge the state-of-art technology,it is necessary to design single luminescence center doped materials with multi-wavelength emission for optical temperature sensors with more modes and higher ***,an Er^(3+)single-doped KYF4 nanocrystals glass ceramic with an obvious thermochromic phenomenon is reported for theﬁrst time,which shows a different temperature-dependent green,red,and near-infrared luminescence behavior based on thermal disturbance *** addition,Er^(3+)single-doped GCﬁber was drawn and fabricated into multi-mode opticalﬁber temperature sensor,which has superior measured temperature resolution(<0.5℃),excellent detection limit(0.077℃),and high correlation coefﬁcient(R^(2))of *** importantly,this sensor can monitor temperature in different scenarios with great environmental interference resistance and *** results indicate that our sensor shows great promise as a technology for environmental and healthcare monitoring,and it provides a route for the design of opticalﬁber temperature sensors with multi-mode and high resolution.

关键词： Er^(3+) Glass ceramic Thermochromic Opticalﬁber sensor Healthcare monitoring

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Photocatalytic Performance of Water-Soluble Nucleobase-Functionalized Molybdenum Disulfide Nanocomposite Against Methyl Blue Dye

SSRN

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SSRN 2024年

作者： Melaku, Ashenafi Zeleke Cheng, Chih-Chia Department of Chemistry College of Natural and Computational Sciences Woldia University Ethiopia Graduate Institute of Applied Science and Technology National Taiwan University of Science and Technology Taipei10607 Taiwan Advanced Membrane Materials Research Center National Taiwan University of Science and Technology Taipei10607 Taiwan

In this report, environmental friendly and water-soluble nucleobase containing polymer modified MoS2 nanocomposite as-synthesized through aqueous phase sonication was applied as photocatalyst against dye containing wastewater exhibiting a superior degradation efficiency comparing aqueous phase exfoliated MoS2 alone under light irradiation. Specifically, the nanocomposite, referred to as Cy-80% and E-MoS2, demonstrated a photodegradation efficiency of 98.7% and 75.6% respectively within 60 minutes of UV light irradiation time at 365 nm. This enhancement in photocatalytic performance is attributed to the intercalation of self-assembled nucleobase containing polymer within multiple layers of MoS2. This intercalation process leads to the creation of separate wide surface area and abundant active sites nanosheets, which accelerate the separation of photo-induced electron-hole pairs. Furthermore, the nanocomposite catalyst used for multiple cycles with appreciable degradation efficiency, maintaining the nanocomposite content throughout the catalyst recovery process. Overall, the results suggest that the synthesized MoS2 nanocomposite is a promising photocatalytic material for the degradation of dye-containing wastewater, particularly when exposed to a visible irradiation source. © 2024, The Authors. All rights reserved.

关键词： Reusability

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