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Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation 通过高通量第一原理筛选和实验验证加速铁电材料的发现
Japanese Journal of Applied Physics Pub Date : 2024-07-09 DOI: 10.35848/1347-4065/ad60d0
Daisuke Hirai, Tomoki Murata, Sakyo Hirose
{"title":"Accelerating ferroelectric materials discovery through high-throughput first-principles screening and experimental validation","authors":"Daisuke Hirai, Tomoki Murata, Sakyo Hirose","doi":"10.35848/1347-4065/ad60d0","DOIUrl":"https://doi.org/10.35848/1347-4065/ad60d0","url":null,"abstract":"\u0000 We conducted high-throughput screening of ferroelectrics using first-principles calculations based on an existing crystal structure database. We focused on nonpolar structures with polar instability, to efficiently screen materials for their potential to undergo ferroelectric phase transitions from oxide materials in crystal structure databases. Our screening criteria included computational feasibility (excluding partial occupation), the absence of hazardous elements, and a maximum of 250 atoms in the conventional cell. Through this screening, we identified 47 ferroelectric candidates, 8 of which have already been reported as ferroelectrics. To validate our screening approach, we synthesized and evaluated several candidate materials with Dion-Jacobson-type structures and measured their dielectric and ferroelectric properties. Although the ferroelectric behavior was not initially identified in these materials, our experiments confirmed their properties. Finally, we discovered a new ferroelectric material, CsCa2Nb3O10, which exhibited a ferroelectric phase transition at 28 K, clearly demonstrating the effectiveness of our screening strategy.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"42 6","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141663594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Elucidation of the “jumping and dropping” phenomena of piezoelectric vibrators in high-amplitude operation in the vicinity of their mechanical resonance frequencies 阐明压电振动器在机械共振频率附近高振幅运行时的 "跳跃和下降 "现象
Japanese Journal of Applied Physics Pub Date : 2024-07-09 DOI: 10.35848/1347-4065/ad610d
Kazunari Adachi, Yasuhiro Yamayoshi, Takuya Ebihara, Yuya Kawanabe
{"title":"Elucidation of the “jumping and dropping” phenomena of piezoelectric vibrators in high-amplitude operation in the vicinity of their mechanical resonance frequencies","authors":"Kazunari Adachi, Yasuhiro Yamayoshi, Takuya Ebihara, Yuya Kawanabe","doi":"10.35848/1347-4065/ad610d","DOIUrl":"https://doi.org/10.35848/1347-4065/ad610d","url":null,"abstract":"\u0000 The peculiar events called the “jumping and dropping” phenomena of piezoelectric ceramic vibrators in high amplitude operation have widely been known. The phenomena, which occur solely in the vicinity of the mechanical resonance frequencies of the vibrators, are the emergence of hysteresis in frequency domain with abrupt increase and decrease of the vibratory amplitude. It has long been believed that the nonlinearity of the piezoelectric materials is the dominant cause of the unstable vibratory behaviors. Nevertheless, the authors have found that they can be attributed to the local piezoelectric polarization reversals due to the electric field concentration caused by its conspicuous distortion inside the vibrators in mechanical resonance. This hypothesis has been examined by numerical and experimental investigations for hard-type piezoelectric ceramic disks vibrating in axisymmetric radially pulsating mode.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"1 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141664215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Effects of impedance matching network on α–γ mode transition in atmospheric pressure RF discharges 阻抗匹配网络对常压射频放电中 α-γ 模式转换的影响
Japanese Journal of Applied Physics Pub Date : 2024-07-08 DOI: 10.35848/1347-4065/ad606e
manqiang Du, zhenfeng Ding, Liangwen Qi, Xiaodong Wen, Bin Sun
{"title":"Effects of impedance matching network on α–γ mode transition in atmospheric pressure RF discharges","authors":"manqiang Du, zhenfeng Ding, Liangwen Qi, Xiaodong Wen, Bin Sun","doi":"10.35848/1347-4065/ad606e","DOIUrl":"https://doi.org/10.35848/1347-4065/ad606e","url":null,"abstract":"\u0000 In atmospheric pressure radio-frequency discharges, positive and negative feedback regions are defined based on the influence of varying the capacitance of the series capacitor in an inverted L-type impedance matching network on the fed RF power at the input port of the impedance matching network. The impact of the impedance matching network on the α-γ mode transition was investigated by adjusting the tuning series capacitor in the impedance matching network. The critical RF power as well as current and voltage at the α-γ mode transition is almost independent off the impedance matching network, while the counterpart immediately after the α-γ mode transition varies remarkably. The underlying mechanism is understood in terms of different feedbacks. Positive and negative feedbacks respectively promote and suppress the increment in RF power during the α-γ mode transition.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":" October","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141669683","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
TCAD analysis of conditions for DIBL parameter misestimation in cryogenic MOSFETs 对低温 MOSFET 中 DIBL 参数错误估计条件的 TCAD 分析
Japanese Journal of Applied Physics Pub Date : 2024-07-08 DOI: 10.35848/1347-4065/ad606d
Yuika Kobayashi, H. Asai, S. Iizuka, J. Hattori, T. Ikegami, Koichi Fukuda, T. Nikuni, T. Mori
{"title":"TCAD analysis of conditions for DIBL parameter misestimation in cryogenic MOSFETs","authors":"Yuika Kobayashi, H. Asai, S. Iizuka, J. Hattori, T. Ikegami, Koichi Fukuda, T. Nikuni, T. Mori","doi":"10.35848/1347-4065/ad606d","DOIUrl":"https://doi.org/10.35848/1347-4065/ad606d","url":null,"abstract":"\u0000 The study aimed to investigate the transfer characteristics of metal-oxide-semiconductor field-effect transistors (MOSFETs) at cryogenic temperatures to elucidate the experimental conditions affecting the accurate estimation of the drain-induced barrier lowering (DIBL) parameter. Our device simulation revealed that MOSFETs featuring an underlap between the gate and source/drain edges experience a significant shift in threshold voltage (V\u0000 t) in the low drain voltage (V\u0000 d) region, which causes the misestimation of the DIBL parameter. This V\u0000 t change is due to a notable increase in carrier concentration within the underlap region. To mitigate misestimation, confirming the dependence of the DIBL parameter on the linear region of V\u0000 d serves as an effective method to ensure accurate estimation.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"117 17","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141667550","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Photonic fan-out and local selectable inversion of the optical hysteresis shape 光子扇出和光滞形状的局部可选反转
Japanese Journal of Applied Physics Pub Date : 2024-07-08 DOI: 10.35848/1347-4065/ad606c
Saif A. Al Graiti, M. Maafa, Son Kim Pham, Drew Maywar
{"title":"Photonic fan-out and local selectable inversion of the optical hysteresis shape","authors":"Saif A. Al Graiti, M. Maafa, Son Kim Pham, Drew Maywar","doi":"10.35848/1347-4065/ad606c","DOIUrl":"https://doi.org/10.35848/1347-4065/ad606c","url":null,"abstract":"\u0000 We demonstrate and elucidate the local selectable inversion of the hysteresis shape of a bistable optical signal after fan-out. This selectability is based on a hysteresis-shape transformation that yields a switching contrast over 20 dB in magnitude for both the inversion clockwise (CW) and the non-inversion counterclockwise (CCW) hysteresis shapes, while maintaining input-switching powers. This behavior leverages an initial signal whose bistability is manifested by its state of polarization; a generalized Malus' law elucidates how selection is possible by controlling the transmittivity hysteresis through each local polarizer. The concept is demonstrated using a Fabry-Perot semiconductor optical amplifier to produce the initial bistable polarization-rotating signal, followed by a 1X2 fan-out and the realization of all four hysteresis shapes at each location, independent of the other location. This fan-out and selectable inversion behavior is applicable to other nonlinear photonic systems and provides new functionality for parallel optical processing.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":" 14","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141668576","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Wafer and chip-level characterization of edge-coupled photonic integrated circuits by cascaded grating couplers and spot-size converters 通过级联光栅耦合器和光斑尺寸转换器对边缘耦合光子集成电路进行晶圆和芯片级鉴定
Japanese Journal of Applied Physics Pub Date : 2024-07-05 DOI: 10.35848/1347-4065/ad5fd5
Moataz Eissa, Ryuya Sasaki, Tsuyoshi Horikawa, T. Amemiya, Nobuhiko Nishiyama
{"title":"Wafer and chip-level characterization of edge-coupled photonic integrated circuits by cascaded grating couplers and spot-size converters","authors":"Moataz Eissa, Ryuya Sasaki, Tsuyoshi Horikawa, T. Amemiya, Nobuhiko Nishiyama","doi":"10.35848/1347-4065/ad5fd5","DOIUrl":"https://doi.org/10.35848/1347-4065/ad5fd5","url":null,"abstract":"\u0000 This study presents an efficient testing process for characterizing silicon photonic integrated circuits. This process utilizes a coupling structure that integrates grating couplers and spot-size converters for efficient testing both at the chip and wafer levels, respectively. By leveraging wafer-level testing to estimate the characteristics of final chip-level devices, we anticipate a reduction in testing costs. To demonstrate the validity of the proposed testing process, we fabricated and measured silicon-on-insulator ring resonator devices on both wafer and chip levels. The results showed good agreement between the two levels of measurement, validating the effectiveness of our proposed testing process.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":" 8","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141673645","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Polarization at the compositional interface in Nb-doped metastable TiO2-SnO2 solid solutions 掺铌可褪色 TiO2-SnO2 固溶体中成分界面的极化现象
Japanese Journal of Applied Physics Pub Date : 2024-07-03 DOI: 10.35848/1347-4065/ad5e8d
Takashi Teranishi, Junsuke Satake, Shinya Kondo, Akira Kishimoto
{"title":"Polarization at the compositional interface in Nb-doped metastable TiO2-SnO2 solid solutions","authors":"Takashi Teranishi, Junsuke Satake, Shinya Kondo, Akira Kishimoto","doi":"10.35848/1347-4065/ad5e8d","DOIUrl":"https://doi.org/10.35848/1347-4065/ad5e8d","url":null,"abstract":"\u0000 Polarization architecture was incorporated into metastable Nb-doped TiO2-SnO2 to deliver electron accumulation at the localized TiO2-SnO2 compositionally fluctuating interface. Specimens were quenched from various holding temperatures to ambient temperature in air to avoid bimodal decomposition into TiO2 and SnO2 endmembers. At the lowest sintering temperature of 1,400°C, the mixed phase containing TiO2- and SnO2-rich compositions existed as an intermediate state to the single-phase solid solution. The phase boundary became more ambiguous with increasing sintering temperature, and the compositional fluctuation size reduced to single nanometers at 1,500°C. The permittivity due to the interfacial polarization, ε\u0000 interface, increased steadily with increasing sintering temperature. The larger ε\u0000 interface values at higher temperatures are attributed to the greater density of the compositionally fluctuating phase interface, which leads to greater electron accumulation at the energy barrier between the two semiconducting layers.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"2 5","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141681447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
High-mobility and high-reliability Zn-incorporated amorphous In2O3-based thin-film transistors 高移动性和高可靠性 Zn 掺杂非晶 In2O3 基薄膜晶体管
Japanese Journal of Applied Physics Pub Date : 2024-07-03 DOI: 10.35848/1347-4065/ad5ee6
Yuzhang Wu, Y. Magari, P. Ghediya, Yu-qiao Zhang, Y. Matsuo, Hiromichi Ohta
{"title":"High-mobility and high-reliability Zn-incorporated amorphous In2O3-based thin-film transistors","authors":"Yuzhang Wu, Y. Magari, P. Ghediya, Yu-qiao Zhang, Y. Matsuo, Hiromichi Ohta","doi":"10.35848/1347-4065/ad5ee6","DOIUrl":"https://doi.org/10.35848/1347-4065/ad5ee6","url":null,"abstract":"\u0000 Polycrystalline indium oxide-based thin film transistors (In2O3 TFTs) have attracted considerable attention because of high field effect mobility (μFE ~100 cm2 V−1 s−1). However, In2O3 TFTs exhibit poor reliability owing to the adsorption and/or desorption of gas molecules at the grain boundaries. The incorporation of Zn suppresses the crystallization of In2O3. Herein, we systematically studied the effect of Zn incorporation into In2O3 TFTs. The crystallization of In2O3 was suppressed when the Zn concentration ranging from 25% to 68%. Amorphous IZO TFTs with 25% Zn exhibited the highest μFE of 41 cm2 V−1 s−1 and excellent reliability. In contrast, polycrystalline IZO TFTs showed a low μFE <12 cm2 V−1 s−1 due to the formation of grain boundaries, and poor reliability after positive gate bias, mostly due to electron trapping at the polycrystalline/insulator interface. These results render an approach to realize In2O3 TFTs that show reasonably high μFE and excellent reliability.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"3 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141682200","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dissolution dynamics of poly(4-hydroxystyrene) partially protected with t-butoxycarbonyl group in alkyltrimethylammonium hydroxide aqueous developers 在烷基三甲基氢氧化铵水溶液显影剂中部分受叔丁氧羰基保护的聚（4-羟基苯乙烯）的溶解动力学
Japanese Journal of Applied Physics Pub Date : 2024-07-02 DOI: 10.35848/1347-4065/ad5e26
Jiahao Wang, Takahiro Kozawa
{"title":"Dissolution dynamics of poly(4-hydroxystyrene) partially protected with t-butoxycarbonyl group in alkyltrimethylammonium hydroxide aqueous developers","authors":"Jiahao Wang, Takahiro Kozawa","doi":"10.35848/1347-4065/ad5e26","DOIUrl":"https://doi.org/10.35848/1347-4065/ad5e26","url":null,"abstract":"\u0000 Novel developers with low biotoxicity have attracted considerable attention with respect to ensuring environmental sustainability. In this study, the dissolution dynamics of poly(4-hydroxylstyrene) (PHS) partially protected with a t-butoxycarbonyl (t-Boc) group in alkyltrimethylammonium hydroxide and tetraethylammonium hydroxide aqueous solutions (0.26 N) were investigated by the quartz crystal microbalance method. One of the methyl groups of tetramethylammonium hydroxide (TMAH) was substituted by ethyl, propyl, and butyl groups. Depending on the developer used, the dissolution dynamics of PHS and t-Boc-protected PHS (t-Boc PHS) films showed different tendencies. The dissolution rate of PHS was higher in the TMAH developer than in the butyltrimethylammonium hydroxide (B-TMAH) developer, whereas that of the t-Boc PHS (30 mol%-protected) film was higher in the B-TMAH developer than in the TMAH developer. The elongation of one of the alkyl chains is beneficial for the penetration of the developer and the separation of nonpolar molecular interactions among t-Boc PHS molecules.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"21 45","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141685775","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Dissolution dynamics of partially protected poly(4-hydroxystyrene) in organic developers investigated by quartz crystal microbalance (QCM) method 石英晶体微天平 (QCM) 法研究部分保护聚（4-羟基苯乙烯）在有机显影剂中的溶解动力学
Japanese Journal of Applied Physics Pub Date : 2024-07-02 DOI: 10.35848/1347-4065/ad5e27
Yuko Tsutsui Ito, Kyoko Watanabe, Takahiro Kozawa, Kazuo Sakamoto, Makoto Muramatsu
{"title":"Dissolution dynamics of partially protected poly(4-hydroxystyrene) in organic developers investigated by quartz crystal microbalance (QCM) method","authors":"Yuko Tsutsui Ito, Kyoko Watanabe, Takahiro Kozawa, Kazuo Sakamoto, Makoto Muramatsu","doi":"10.35848/1347-4065/ad5e27","DOIUrl":"https://doi.org/10.35848/1347-4065/ad5e27","url":null,"abstract":"\u0000 Poly(4-hydroxystyrene) (PHS) molecules in solid films are connected each other through polar and nonpolar molecular interaction and hydrogen bonds. Although the dissociation of phenolic hydroxyl groups plays the major role in the dissolution of PHS films in tetramethylammonium hydroxide (TMAH) aqueous developer, it is important to clarify the effects of other interactions. In this study, we investigated the dissolution dynamics of partially protected PHS in organic developers by a quartz crystal microbalance method to deepen the fundamental understanding of the dissolution dynamics of chemically amplified resists. The dissolution dynamics in the solvents, in which the phenolic hydroxyl groups are hardly dissociated, was measured. In 50 vol% methanol aqueous developer, a large swelling was observed. By decreasing the polarity of developer, the dissolution dynamics was significantly changed. In the hexyl acetate, the dissolution kinetics of PHS films became similar to that in TMAH aqueous developer although the dissolution mechanism is different.","PeriodicalId":505044,"journal":{"name":"Japanese Journal of Applied Physics","volume":"27 1","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141684515","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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