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Fujihara, Hiro*; Toda, Hiroyuki*; Ebihara, Kenichi; Kobayashi, Masakazu*; Mayama, Tsuyoshi*; Hirayama, Kyosuke*; Shimizu, Kazuyuki*; Takeuchi, Akihisa*; Uesugi, Masayuki*
International Journal of Plasticity, 174, p.103897_1 - 103897_22, 2024/03
Times Cited Count：0Hydrogen(H) embrittlement in high-strength aluminum(Al) alloys is a crucial problem. H accumulation at the interface of precipitates in Al alloy is considered to cause embrittlement. However, there is no quantitative knowledge regarding the interaction between H distribution and stress field near cracks. In this study, using a multi-modal three-dimensional image-based simulation combining the crystal plasticity finite element method and H diffusion analysis, we tried to capture the stress distribution near the crack, its influence on the H distribution, and the probability of crack initiation in the experimental condition. As a result, it was found that grain boundary cracks transition to quasi-cleavage cracks in the region where the cohesive energy of the semi-coherent interface of MgZn
precipitates decreases due to H accumulation near the tip. We believe the present simulation method successfully bridges nanoscale delamination and macroscale brittle fracture.
Cl dissociation, CH abstraction, and Cl adsorption from the dissociative scattering of supersonic CHCl on Cu(111) and Cu(410)Makino, Takamasa*; Tsuda, Yasutaka; Yoshigoe, Akitaka; Di
o, W. A.*; Okada, Michio*
Applied Surface Science, 642, p.158568_1 - 158568_6, 2024/01
Times Cited Count：0 Percentile：0.01(Chemistry, Physical)
GeFujiwara, Hidenori*; Nakatani, Yasuhiro*; Aratani, Hidekazu*; Kanai-Nakata, Yuina*; Yamagami, Kohei*; Hamamoto, Satoru*; Kiss, Takayuki*; Sekiyama, Akira*; Tanaka, Arata*; Ebihara, Takao*; et al.
New Physics; Sae Mulli, 73(12), p.1062 - 1066, 2023/12
symmetry for anisotropic 
hybridization in the heavy-fermion superconductor CeNiGeFujiwara, Hidenori*; Nakatani, Yasuhiro*; Aratani, Hidekazu*; Kanai, Yuina*; Yamagami, Kohei*; Hamamoto, Satoru*; Kiss, Takayuki*; Yamasaki, Atsushi*; Higashiya, Atsushi*; Imada, Shin*; et al.
Physical Review B, 108(16), p.165121_1 - 165121_10, 2023/10
Times Cited Count：0 Percentile：0(Materials Science, Multidisciplinary)Arai, Taiki*; Yoshigoe, Akitaka; Motohashi, Mitsuya*
Zairyo No Kagaku To Kogaku, 60(5), p.153 - 158, 2023/10
Si oxide films are currently widely used as insulating materials in electronic devices and biomaterials. The atomic bonding state of these films significantly influences the properties of each device, thus it is particularly necessary to understand and control the chemical bonding state between Si and O in the films. In this study, the Si oxide films formed by anodic oxidation on Si substrate surfaces in extremely low concentrations of HF solutions were analyzed by X-ray photoelectron spectroscopy mainly focusing on Si2p and F1s spectra. Although the HF concentration is in the order of ppm, the films contain percent order of F atoms, suggesting the formation of Si-F and Si-O-F bonds in the films. It was also found that the different depth profiles for F and O atoms was observed, indicating that the surface reaction processes seem to be different depending on each element.
Terasawa, Tomoo; Matsunaga, Kazuya*; Hayashi, Naoki*; Ito, Takahiro*; Tanaka, Shinichiro*; Yasuda, Satoshi; Asaoka, Hidehito
Vacuum and Surface Science, 66(9), p.525 - 530, 2023/09
As Au (001) surfaces exhibit a quasi-one-dimensional corrugated structure, Hex-Au(001), its periodicity was predicted to change the electronic structure of graphene when graphene was grown on this surface. Furthermore, the hybridization between graphene and Au is known to introduce bandgap and spin polarization into graphene. Here, we report angle-resolved photoemission spectroscopy and density functional theory calculation of graphene on a Hex-Au(001) surface. A bandgap of 0.2 eV in the graphene Dirac cone was observed at the crossing point of the graphene Dirac cone and Au 6sp bands, indicating that the origin of the bandgap formation was the hybridization between the graphene Dirac cone and Au 6sp band. We discussed the hybridization mechanism and anticipated spin injection into the graphene Dirac cone.
/GaN interfaces with suppressed Ga-oxide interlayer via sputter deposition of SiOOnishi, Kentaro*; Kobayashi, Takuma*; Mizobata, Hidetoshi*; Nozaki, Mikito*; Yoshigoe, Akitaka; Shimura, Takayoshi*; Watanabe, Heiji*
Japanese Journal of Applied Physics, 62(5), p.050903_1 - 050903_4, 2023/05
While the formation of an GaO
interlayer is key to achieving SiO/GaN interfaces with low defect density, it can affect the reliability and stability of metal-oxide-semiconductor (MOS) devices if the annealing conditions are not properly designed. In the present study, we aimed to minimize the growth of the GaO layer on the basis of the sputter deposition of SiO on GaN. Synchrotron radiation X-ray photoelectron spectrometry measurements confirmed the suppressed growth of the GaO layer compared with a SiO/GaN structure formed by plasma-enhanced chemical vapor deposition. Negligible GaO growth was also observed when subsequent oxygen annealing up to 600
C was performed. A MOS device with negligible capacitance-voltage hysteresis, nearly ideal flat-band voltage, and low leakage current was demonstrated by performing oxygen and forming gas annealing at temperatures of 600C and 400C, respectively.
by monolayer hexagonal boron nitride coating for improved photo- and thermionic-cathodesYamaguchi, Hisato*; Yusa, Ryunosuke*; Wang, G.*; Pettes, M. T.*; Liu, F.*; Tsuda, Yasutaka; Yoshigoe, Akitaka; Abukawa, Tadashi*; Moody, N. A.*; Ogawa, Shuichi*
Applied Physics Letters, 122(14), p.141901_1 - 141901_7, 2023/04
Times Cited Count：3 Percentile：85.09(Physics, Applied)A lowering of work function for LaB by monolayer hexagonal BN coating is reported. Photoemission electron microcopy (PEEM) and thermionic emission electron microscopy (TEEM) both revealed that the hBN coated region of a LaB(100) single crystal has lower work function compared to the bare (i.e., non-coated) and graphene coated regions. A larger decrease of work function for the hBN coated LaB(100) compared to graphene coated LaB(100) was qualitatively supported by our density functional theory (DFT) calculations. Adding an oxide layer in the calculations improved consistency between the calculation and experimental results. We followed up our calculations with synchrotron-radiation X-ray photoelectron spectroscopy (SR-XPS) and confirmed the presence of an oxide layer on our LaB.
Yoshida, Kenta*; Toyama, Takeshi*; Inoue, Koji*; Nagai, Yasuyoshi*; Shimodaira, Masaki
Materia, 62(3), p.154 - 158, 2023/03
no abstracts in English
Kai, Takeshi; Toigawa, Tomohiro; Matsuya, Yusuke*; Hirata, Yuho; Tezuka, Tomoya*; Tsuchida, Hidetsugu*; Yokoya, Akinari*
RSC Advances (Internet), 13(11), p.7076 - 7086, 2023/03
Times Cited Count：3 Percentile：81.33(Chemistry, Multidisciplinary)Scientific insights of water radiolysis are widely used in the life sciences and so on, however, the formation mechanism of radicals, a product of water radiolysis, is still not well understood. We are challenging to develop a simulation code to solve this formation mechanism from the viewpoint of radiation physics. Our first-principles calculations have revealed that the behavior of secondary electrons in water is governed not only by collisional effects but also by polarization effects. Furthermore, from the predicted ratio of ionization to electronic excitation, based on the spatial distribution of secondary electrons, we successfully reproduce the initial yield of hydrated electrons predicted in terms of radiation chemistry. The code provides us a reasonable spatiotemporal connection from radiation physics to radiation chemistry. Our findings are expected to provide newly scientific insights for understanding the earliest stages of water radiolysis.
-H2AX focus formation assay based on track-structure simulationYachi, Yoshie*; Matsuya, Yusuke*; Yoshii, Yuji*; Fukunaga, Hisanori*; Date, Hiroyuki*; Kai, Takeshi
International Journal of Molecular Sciences (Internet), 24(2), p.1386_1 - 1386_14, 2023/01
Times Cited Count：2 Percentile：75.46(Biochemistry & Molecular Biology)When living cells are irradiated with radiation and complex damage is formed within a few nanometers of DNA, it is believed to induce biological effects such as cell death. In general, complex DNA damage formed in cells can be detected experimentally by fluorescence microscopy, because the area around the damage site emits light like a focus point when a fluorophore is used. However, this detection method has not been able to analyze the degree of complexity of DNA damage. Therefore, in this study, we addressed on the measured focus size and evaluated the degree of complexity of DNA damage using a track structure analysis code. As a result, we found that as DNA damage becomes more complex, the focus size also increases. Our findings are expected to provide a new analytical method for elucidating the initial factors of radiation biological effects.
Terasawa, Tomoo; Matsunaga, Kazuya*; Hayashi, Naoki*; Ito, Takahiro*; Tanaka, Shinichiro*; Yasuda, Satoshi; Asaoka, Hidehito
Physical Review Materials (Internet), 7(1), p.014002_1 - 014002_10, 2023/01
Times Cited Count：3 Percentile：72.03(Materials Science, Multidisciplinary)Au(001) surfaces exhibit a complex reconstructed structure [Hex-Au(001)] comprising a hexagonal surface and square bulk lattices, yielding a quasi-one-dimensional corrugated surface. When graphene was grown on this surface, the periodicity of the corrugated surface was predicted to change the electronic structure of graphene, forming bandgaps and new Dirac points. Furthermore, the graphene-Au interface is promising for bandgap generation and spin injection due to band hybridization. Here, we report the angle-resolved photoemission spectroscopy and density functional calculation of graphene on a Hex-Au(001) surface. The crossing point of the original and replica graphene 
bands showed no bandgap, suggesting that the one-dimensional potential was too small to modify the electronic structure. A bandgap of 0.2 eV was observed at the crossing point of the graphene and Au 
bands, indicating that the bandgap is generated using hybridization of the graphene and Au bands. We discussed the hybridization mechanism and concluded that the R30 configuration between graphene and Au and an isolated electronic structure of Au are essential for effective hybridization between graphene and Au. We anticipate that hybridization between graphene and Au would result in spin injection into graphene.
Hirade, Tetsuya; Furuta, Hikaru*; Torikai, Yuji*; Fujimura, Yuki; Michishio, Koji*
JJAP Conference Proceedings (Internet), 9, p.011106_1 - 011106_7, 2023/00
Positron annihilation lifetime (PAL) measurements by use of a positron source of 
Na were performed for polycrystalline ITER-grade tungsten samples exposed to low-energy deuterium plasma. The energy of deuterium plasma was low and then it was expected that it would affect just near-surface region. However, we obtained the longer mean positron annihilation lifetime in the tungsten samples exposed to the low-energy deuterium plasma than the virgin tungsten samples. Moreover, almost same longer values were obtained even on the other (no exposed) side of the samples, although the thickness of the samples were about 2 mm. Although, there has been no report of observation of defect formation by existence of hydrogen or deuterium in tungsten, the results indicated that deuterium existence in tungsten can be one of reasons of defects formation.
Ogawa, Shuichi*; Tsuda, Yasutaka; Sakamoto, Tetsuya*; Okigawa, Yuki*; Masuzawa, Tomoaki*; Yoshigoe, Akitaka; Abukawa, Tadashi*; Yamada, Takatoshi*
Applied Surface Science, 605, p.154748_1 - 154748_6, 2022/12
Times Cited Count：3 Percentile：48.5(Chemistry, Physical)Immersion of graphene in KOH solution improves its mobility on SiO/Si wafers. This is thought to be due to electron doping by modification with K atoms, but the K atom concentration C
in the graphene has not been clarified yet. In this study, the C was determined by XPS analysis using high-brilliance synchrotron radiation. The time evolution of C was determined by real-time observation, and the C before irradiation of synchrotron radiation was estimated to be 0.94%. The C 1s spectrum shifted to the low binding energy side with the desorption of K atoms. This indicates that the electron doping concentration into graphene is decreasing, and it is experimentally confirmed that K atoms inject electrons into graphene.
NiIn
Sakai, Hironori; Tokunaga, Yo; Kambe, Shinsaku; Zhu, J.-X.*; Ronning, F.*; Thompson, J. D.*; Kotegawa, Hisashi*; To, Hideki*; Suzuki, Kohei*; Oshima, Yoshiki*; et al.
Physical Review B, 106(23), p.235152_1 - 235152_8, 2022/12
Times Cited Count：0 Percentile：0(Materials Science, Multidisciplinary)We investigate the electronic state of Ni-substituted CeCoNi
In by nuclear quadrupole and magnetic resonance (NQR/NMR) techniques. The heavy fermion superconductivity below 
K for 
is suppressed by Ni substitutions, and 
reaches zero for 
. The 
In NQR spectra for 
and 0.25 can be explained by simulating the electrical field gradient that is calculated for a virtual supercell with density functional theory. The spin-lattice relaxation rate 
indicates that Ni substitution weakens antiferromagnetic correlations that are not localized near the substituent but instead are uniform in space. The temperature (
) dependence of 
for shows a maximum around 
K and decreases toward almost zero when temperature is further reduced as if a gap might be opening in the magnetic excitation spectrum; however, the magnetic specific heat and the static magnetic susceptibility evolve smoothly through 
with a 
dependence. The peculiar T dependence of and non-Fermi-liquid specific heat and susceptibility can be interpreted in a unified way by assuming nested antiferromagnetic spin fluctuations in a quasi-two-dimensional electronic system.
Higemoto, Wataru; Yokoyama, Makoto*; Ito, Takashi; Suzuki, Taiga*; Raymond, S.*; Yanase, Yoichi*
Proceedings of the National Academy of Sciences of the United States of America, 119(49), p.e2209549119_1 - e2209549119_6, 2022/11
Times Cited Count：0 Percentile：0(Multidisciplinary Sciences)no abstracts in English
(001) surface with supersonic seeded oxygen molecular beamKatsube, Daiki*; Ono, Shinya*; Inami, Eiichi*; Yoshigoe, Akitaka; Abe, Masayuki*
Vacuum and Surface Science, 65(11), p.526 - 530, 2022/11
The oxidation of oxygen vacancies at the surface of anatase TiO (001) was investigated by synchrotron radiation photoelectron spectroscopy and supersonic O beam (SSMB). The oxygen vacancies at the top surface and subsurface could be eliminated by the supply of hyperthermal oxygen molecules. Oxygen vacancies are present on the surface of anatase TiO(001) when it is untreated before transfer to a vacuum chamber. These vacancies, which are stable in the ambient condition, could also be effectively eliminated by using oxygen SSMB. This result is promising as a surface processing for various functional oxides.
molecule at SiO/Si(001) interface during Si dry oxidationTsuda, Yasutaka; Yoshigoe, Akitaka; Ogawa, Shuichi*; Sakamoto, Tetsuya*; Takakuwa, Yuji*
e-Journal of Surface Science and Nanotechnology (Internet), 21(1), p.30 - 39, 2022/11
Funato, Takumi*; Kato, Takeo*; Matsuo, Mamoru
Physical Review B, 106(14), p.144418_1 - 144418_10, 2022/10
Times Cited Count：3 Percentile：34.67(Materials Science, Multidisciplinary)Tsuchida, Hidetsugu*; Majima, Takuya*; Kai, Takeshi
Oyo Butsuri, 91(9), p.553 - 557, 2022/09
In recent years, basic research has been conducted to understand the biological effects of radiation at the atomic level toward advancing particle beam cancer treatment. Here we show some recent results on the basic process of biomolecular damage caused by ion beams in liquid water. A biomolecular solution target was introduced to the vacuum by a liquid molecular beam or microdroplet method. Secondary ion mass spectrometry was applied to measure the fragments of biomolecules emitted from a target irradiated with an ion beam. For the simulation study using a PHITS code, physical nature of secondary electrons produced by ion beam in water was analyzed. The experimental and simulation research determined the energy range of secondary electrons involved in damaging biomolecules in liquid water caused by ion beams. The damage process by secondary electrons near the ion track is described.
