The orientation dependence of band alignments and the formation of dipoles at 4H-SiC/SiO2 interface are theoretically investigated on the basis of first-principles calculations. The calculations demonstrate that the offsets of valence and conduction bands depend on the surface orientation and chemical bonds at 4H-SiC/SiO2 interface. The conduction band offset on the Si-face is larger than those on the C-face and m-face. Furthermore, it is found the atomic configurations at 4H-SiC/SiO2 interface results in the formation of dipoles, whose magnitude is large for Si-O and C-O bonds. The formation of large dipoles significantly changes the band structure of 4H-SiC, resulting in large conduction bands offset. Therefore, the formation of Si-O bond with large dipoles at the interface is of importance in order to obtain large conduction band offset. The calculated results give insights to improve the reliability in SiC metal-oxide-semiconductor field-effect transistors.
在第一原理计算的基础上,从理论上研究了 4H-SiC/SiO2 界面上带排列的取向依赖性和偶极子的形成。计算结果表明,价带和导带的偏移取决于 4H-SiC/SiO2 界面的表面取向和化学键。硅面的导带偏移大于 C 面和 m 面的导带偏移。此外,研究还发现 4H-SiC/SiO2 界面的原子构型会导致偶极子的形成,Si-O 和 C-O 键的偶极子幅度较大。大偶极子的形成极大地改变了 4H-SiC 的能带结构,导致导带偏移较大。因此,在界面上形成具有大偶极子的 Si-O 键对于获得大的导带偏移非常重要。计算结果为提高 SiC 金属氧化物半导体场效应晶体管的可靠性提供了启示。
{"title":"First-principles study for orientation dependence of band alignments at 4H-SiC/SiO2 interface","authors":"Shun Matsuda, Toru Akiyama, Tetsuo Hatakeyama, Kenji Shiraishi, Takashi Nakayama","doi":"10.35848/1347-4065/ad1897","DOIUrl":"https://doi.org/10.35848/1347-4065/ad1897","url":null,"abstract":"The orientation dependence of band alignments and the formation of dipoles at 4H-SiC/SiO2 interface are theoretically investigated on the basis of first-principles calculations. The calculations demonstrate that the offsets of valence and conduction bands depend on the surface orientation and chemical bonds at 4H-SiC/SiO2 interface. The conduction band offset on the Si-face is larger than those on the C-face and m-face. Furthermore, it is found the atomic configurations at 4H-SiC/SiO2 interface results in the formation of dipoles, whose magnitude is large for Si-O and C-O bonds. The formation of large dipoles significantly changes the band structure of 4H-SiC, resulting in large conduction bands offset. Therefore, the formation of Si-O bond with large dipoles at the interface is of importance in order to obtain large conduction band offset. The calculated results give insights to improve the reliability in SiC metal-oxide-semiconductor field-effect transistors.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"36 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139159746","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-22DOI: 10.35848/1347-4065/ad1847
Shuhei Tanaka, Yusuke Takagawa, S. Maruyama, Y. Shibata, T. Koganezawa, K. Kaminaga, Hideo Fujikake, Yuji Matsumoto
In this work, heteroepitaxial growth of copper phthalocyanine (CuPc) on a large single-grain of thin film N,N'-Di-n-octyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C8) was investigated. Vacuum-deposited PTCDI-C8 thin films at a growth temperature of ~180 °C exhibited large grain growth of several hundred micrometers or more in size, and their surface consisted of stripe islands with molecular steps. CuPc deposited at 180 °C on this PTCDI-C8 large grain underlayer was found to grow epitaxially with its needle-like crystals dominantly oriented in one unique direction. The mechanism of the observed epitaxy is discussed based on the results of in-plane X-ray diffraction and the initial growth morphology.
这项工作研究了铜酞菁(CuPc)在 N,N'-二正辛基-3,4,9,10-苝四羧酸二亚胺(PTCDI-C8)大单晶粒薄膜上的异外延生长。在大约 180 °C 的生长温度下真空沉积的 PTCDI-C8 薄膜呈现出几百微米或更大尺寸的大晶粒生长,其表面由带有分子阶梯的条纹岛组成。在这种 PTCDI-C8 大晶粒底层上以 180 °C 沉积的 CuPc 被发现是外延生长的,其针状晶体主要朝向一个独特的方向。根据面内 X 射线衍射结果和初始生长形态,讨论了所观察到的外延机理。
{"title":"Epitaxial growth of copper phthalocyanine on a large single-grain of thin film alkyl perylene diimide","authors":"Shuhei Tanaka, Yusuke Takagawa, S. Maruyama, Y. Shibata, T. Koganezawa, K. Kaminaga, Hideo Fujikake, Yuji Matsumoto","doi":"10.35848/1347-4065/ad1847","DOIUrl":"https://doi.org/10.35848/1347-4065/ad1847","url":null,"abstract":"\u0000 In this work, heteroepitaxial growth of copper phthalocyanine (CuPc) on a large single-grain of thin film N,N'-Di-n-octyl-3,4,9,10-perylenetetracarboxylic diimide (PTCDI-C8) was investigated. Vacuum-deposited PTCDI-C8 thin films at a growth temperature of ~180 °C exhibited large grain growth of several hundred micrometers or more in size, and their surface consisted of stripe islands with molecular steps. CuPc deposited at 180 °C on this PTCDI-C8 large grain underlayer was found to grow epitaxially with its needle-like crystals dominantly oriented in one unique direction. The mechanism of the observed epitaxy is discussed based on the results of in-plane X-ray diffraction and the initial growth morphology.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"9 16","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138994169","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-22DOI: 10.35848/1347-4065/ad184d
Tetsuya Goto, T. Suwa, K. Katayama, Shu Nishida, H. Ikenoue, S. Sugawa
LTPS TFTs with MONOS structure was fabricated to investigate the feasibility of suppressing threshold voltage variations between TFTs. By applying relatively high positive and negative gate bias voltages, threshold voltage could be tuned positively and negatively by injecting charges to charge trap layer, respectively. Stability of threshold voltage against positive gate bias at a level close to the actual circuit operation was not degraded compared to the case of as-fabricated TFT. Uniformization of threshold voltage distribution could be achieved in a preliminary test using 16 TFTs by converging threshold voltages with a target value by tuning threshold voltages for each TFT.
{"title":"Threshold voltage uniformity improvement by introducing charge injection tuning for LTPS TFTs with metal/oxide/nitride/oxide/silicon structure","authors":"Tetsuya Goto, T. Suwa, K. Katayama, Shu Nishida, H. Ikenoue, S. Sugawa","doi":"10.35848/1347-4065/ad184d","DOIUrl":"https://doi.org/10.35848/1347-4065/ad184d","url":null,"abstract":"\u0000 LTPS TFTs with MONOS structure was fabricated to investigate the feasibility of suppressing threshold voltage variations between TFTs. By applying relatively high positive and negative gate bias voltages, threshold voltage could be tuned positively and negatively by injecting charges to charge trap layer, respectively. Stability of threshold voltage against positive gate bias at a level close to the actual circuit operation was not degraded compared to the case of as-fabricated TFT. Uniformization of threshold voltage distribution could be achieved in a preliminary test using 16 TFTs by converging threshold voltages with a target value by tuning threshold voltages for each TFT.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"21 19","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138947151","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-22DOI: 10.35848/1347-4065/ad1142
Munkhtuul Gantumur, Md. Shahiduzzaman, Itsuki Hirano, Takeshi Gotanda, Liu Peng, Feng Yue, Masahiro Nakano, Makoto Karakawa, Jean Michel Nunzi, Tetsuya Taima
The quality of the light-absorbing perovskite layer is essential for fabricating highly efficient and stable perovskite solar cells (PSCs). The utilization of vacuum-deposited PbI2, instead of spin-coated PbI2, significantly enhanced the quality of the perovskite film in a two-step deposition process. A uniform and agglomeration-free formation of the PbI2 layer achieved through the vacuum-deposition method promoted the efficient intercalation of MAI and led to the formation of a high-quality MAPbI3 perovskite layer with enhanced optical properties and surface morphology. Through electrochemical impedance spectroscopy, we discovered that PSCs with vacuum-deposited PbI2 demonstrate suppressed ion migration compared to devices with spin-coated PbI2. With the application of vacuum-deposited PbI2, the power conversion efficiency (PCE) of the device is superior to devices using spin-coated PbI2. Moreover, after a 40 h thermal stability test, the device with vacuum-deposited PbI2 maintained a PCE of over 50% of its initial efficiency, while the PSC with spin-coated PbI2 dropped to 10%.
{"title":"Thermal evaporated PbI2 enables high-quality perovskite films and improves their solar cell performance","authors":"Munkhtuul Gantumur, Md. Shahiduzzaman, Itsuki Hirano, Takeshi Gotanda, Liu Peng, Feng Yue, Masahiro Nakano, Makoto Karakawa, Jean Michel Nunzi, Tetsuya Taima","doi":"10.35848/1347-4065/ad1142","DOIUrl":"https://doi.org/10.35848/1347-4065/ad1142","url":null,"abstract":"The quality of the light-absorbing perovskite layer is essential for fabricating highly efficient and stable perovskite solar cells (PSCs). The utilization of vacuum-deposited PbI<sub>2</sub>, instead of spin-coated PbI<sub>2</sub>, significantly enhanced the quality of the perovskite film in a two-step deposition process. A uniform and agglomeration-free formation of the PbI<sub>2</sub> layer achieved through the vacuum-deposition method promoted the efficient intercalation of MAI and led to the formation of a high-quality MAPbI<sub>3</sub> perovskite layer with enhanced optical properties and surface morphology. Through electrochemical impedance spectroscopy, we discovered that PSCs with vacuum-deposited PbI<sub>2</sub> demonstrate suppressed ion migration compared to devices with spin-coated PbI<sub>2</sub>. With the application of vacuum-deposited PbI<sub>2</sub>, the power conversion efficiency (PCE) of the device is superior to devices using spin-coated PbI<sub>2</sub>. Moreover, after a 40 h thermal stability test, the device with vacuum-deposited PbI<sub>2</sub> maintained a PCE of over 50% of its initial efficiency, while the PSC with spin-coated PbI<sub>2</sub> dropped to 10%.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"15 1","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139056327","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-22DOI: 10.35848/1347-4065/ad184e
yirong Guo, Jie Li, Pengying Chang
A comprehensive comparison of the electrical characteristics between the planar (P-FTJ) and cylindrical ferroelectric tunnel junction (C-FTJ) is conducted based on physical modeling and simulation. The FTJ architecture is consisted of metal-ferroelectric-dielectric-metal stacks. Two configurations of C-FTJ are considered depending on whether the position of ferroelectric layer is close or away from the inner electrode. The differences between the P-FTJ and C-FTJs in the distributions of the electric field and ferroelectric polarization are analyzed. The resultant tunneling electroresistance (TER) are explored as a function of the inner radius, ferroelectric thickness, dielectric thickness, and remnant polarization. These simulation results offer physical insights into achieving highly integrated three-dimensional storage structures through improving the TER ratio.
{"title":"Performance comparison of planar and cylindrical ferroelectric tunnel junctions","authors":"yirong Guo, Jie Li, Pengying Chang","doi":"10.35848/1347-4065/ad184e","DOIUrl":"https://doi.org/10.35848/1347-4065/ad184e","url":null,"abstract":"\u0000 A comprehensive comparison of the electrical characteristics between the planar (P-FTJ) and cylindrical ferroelectric tunnel junction (C-FTJ) is conducted based on physical modeling and simulation. The FTJ architecture is consisted of metal-ferroelectric-dielectric-metal stacks. Two configurations of C-FTJ are considered depending on whether the position of ferroelectric layer is close or away from the inner electrode. The differences between the P-FTJ and C-FTJs in the distributions of the electric field and ferroelectric polarization are analyzed. The resultant tunneling electroresistance (TER) are explored as a function of the inner radius, ferroelectric thickness, dielectric thickness, and remnant polarization. These simulation results offer physical insights into achieving highly integrated three-dimensional storage structures through improving the TER ratio.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"9 29","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138943932","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-21DOI: 10.35848/1347-4065/ad17de
Atsushi Machida, Takeshi Watanabe, M. Mizumaki, K. Nagata, M. Okada
X-ray reflectivity is an experimental method used in various fields of materials science to investigate the physical properties of solid surfaces and the structure of interfaces. However, it is difficult to evaluate the reliability of the estimates obtained with this method. In this study, we propose a method for analyzing X-ray reflectivity data using Bayesian inference. Bayesian inference allows the uncertainty of the estimate to be evaluated, which also allows the measurement limit to be evaluated, and also shows that estimation is possible even in noisy situations.
X 射线反射率是材料科学各领域用于研究固体表面物理性质和界面结构的一种实验方法。然而,评估用这种方法获得的估计值的可靠性却非常困难。在本研究中,我们提出了一种使用贝叶斯推断法分析 X 射线反射率数据的方法。贝叶斯推断法可以评估估计值的不确定性,也可以评估测量极限,同时还表明即使在有噪声的情况下也可以进行估计。
{"title":"Development of a Bayesian inference method for the analysis of X-ray reflectivity data","authors":"Atsushi Machida, Takeshi Watanabe, M. Mizumaki, K. Nagata, M. Okada","doi":"10.35848/1347-4065/ad17de","DOIUrl":"https://doi.org/10.35848/1347-4065/ad17de","url":null,"abstract":"\u0000 X-ray reflectivity is an experimental method used in various fields of materials science to investigate the physical properties of solid surfaces and the structure of interfaces. However, it is difficult to evaluate the reliability of the estimates obtained with this method. In this study, we propose a method for analyzing X-ray reflectivity data using Bayesian inference. Bayesian inference allows the uncertainty of the estimate to be evaluated, which also allows the measurement limit to be evaluated, and also shows that estimation is possible even in noisy situations.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"55 15","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138949747","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2023-12-21DOI: 10.35848/1347-4065/ad17e0
Masaya Oshita, H. Murata, Isaac Oda-Bayliss, Wencong Wang, Shunsuke Yagi, Kenta Kimura
YIn1-x Mn x O3 is a newly discovered inorganic blue pigment whose vivid blue color results from MnO5 trigonal bipyramidal (TBP) polyhedra. Recently, it has been reported that commercial YIn1-x Mn x O3 powders exhibit a temperature-induced color change, i.e., thermochromism. In this study, we investigate the thermochromism and temperature-induced crystal structure evolution of synthetic YIn0.9Mn0.1O3 powders. We observe that a vivid blue color at room temperature is gradually changed to a dark blue color with increasing temperature. This thermochromism is mainly attributed to a broadening of optical absorption bands in the visible and UV regions, and can also be contributed by an enhancement of the UV absorption. Our crystal structure analysis using powder synchrotron X-ray diffraction data not only confirms the thermal expansion and enhanced thermal vibrations of oxygen, but also reveals a temperature-induced deformation of the TBP polyhedra. Based on these results, we discuss a possible mechanism for the thermochromism of the YIn0.9Mn0.1O3 system.
YIn1-x Mn x O3 是一种新发现的无机蓝色颜料,其鲜艳的蓝色源于 MnO5 三叉双锥体(TBP)多面体。最近有报道称,商用 YIn1-x Mn x O3 粉末表现出温度诱导的颜色变化,即热致变色。在本研究中,我们研究了合成 YIn0.9Mn0.1O3 粉末的热致变色和温度诱导的晶体结构演变。我们观察到,随着温度的升高,室温下鲜艳的蓝色逐渐转变为深蓝色。这种热致变色现象主要归因于可见光和紫外光区域的光学吸收带变宽,也可能是紫外光吸收增强的结果。我们利用粉末同步辐射 X 射线衍射数据进行的晶体结构分析不仅证实了氧的热膨胀和热振动增强,还揭示了温度引起的 TBP 多面体变形。基于这些结果,我们讨论了 YIn0.9Mn0.1O3 系统热致变色的可能机制。
{"title":"Thermochromism and thermal crystal structure evolution of YIn0.9Mn0.1O3","authors":"Masaya Oshita, H. Murata, Isaac Oda-Bayliss, Wencong Wang, Shunsuke Yagi, Kenta Kimura","doi":"10.35848/1347-4065/ad17e0","DOIUrl":"https://doi.org/10.35848/1347-4065/ad17e0","url":null,"abstract":"\u0000 YIn1-x\u0000 Mn\u0000 x\u0000 O3 is a newly discovered inorganic blue pigment whose vivid blue color results from MnO5 trigonal bipyramidal (TBP) polyhedra. Recently, it has been reported that commercial YIn1-x\u0000 Mn\u0000 x\u0000 O3 powders exhibit a temperature-induced color change, i.e., thermochromism. In this study, we investigate the thermochromism and temperature-induced crystal structure evolution of synthetic YIn0.9Mn0.1O3 powders. We observe that a vivid blue color at room temperature is gradually changed to a dark blue color with increasing temperature. This thermochromism is mainly attributed to a broadening of optical absorption bands in the visible and UV regions, and can also be contributed by an enhancement of the UV absorption. Our crystal structure analysis using powder synchrotron X-ray diffraction data not only confirms the thermal expansion and enhanced thermal vibrations of oxygen, but also reveals a temperature-induced deformation of the TBP polyhedra. Based on these results, we discuss a possible mechanism for the thermochromism of the YIn0.9Mn0.1O3 system.","PeriodicalId":14741,"journal":{"name":"Japanese Journal of Applied Physics","volume":"50 21","pages":""},"PeriodicalIF":1.5,"publicationDate":"2023-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138950739","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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}