Article
Computer Science, Interdisciplinary Applications
Takashi Hanada, Yuichi Motoyama, Kazuyoshi Yoshimi, Takeo Hoshi
Summary: This paper introduces STR, an open-source simulator for simulating TRHEPD and RHEED experiments, which are used to determine the atomic-scale surface structure of materials. By analyzing experimental data and using first-principles calculations, the surface structure, electronic structure, and other physical quantities can be evaluated.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Article
Chemistry, Multidisciplinary
Simona Achilli, Daya Sagar Dhungana, Federico Orlando, Carlo Grazianetti, Christian Martella, Alessandro Molle, Guido Fratesi
Summary: The synthesis of silicene on silver leads to multiple phases and domains, which hinders the conduction of charge for electronic transport devices. Two different approaches were used to engineer the silicene/silver interface: decorating with Sn atoms to form an Ag2Sn surface alloy and buffering the interface with a stanene layer. Raman spectroscopy confirms the presence of typical features of silicene, while electron diffraction reveals a well-ordered 4x4 monolayer silicene for the decorated surface and a sharp root 3 x root 3 phase for the buffered interface. Both interfaces also promote the growth of a root 3 x root 3 phase in the multilayer range. Theoretical models support these experimental findings and suggest new ways to manipulate the silicene structure for wafer-scale fabrication.
Article
Chemistry, Multidisciplinary
Kai Zhang, Marie-Christine Hanf, Romain Bernard, Yves Borensztein, Hervei Cruguel, Andrea Resta, Yves Garreau, Alina Vlad, Alessandro Coati, Davide Sciacca, Bruno Grandidier, Mickael Derivaz, Carmelo Pirri, Philippe Sonnet, Reigis Stephan, Geoffroy Prevot
Summary: Through scanning tunneling microscopy (STM), surface X-ray diffraction (SXRD), and density functional theory, we have revealed a Ge-induced (root 109 x root 109)R +/- 24.5 degrees reconstruction on Ag(111). We have demonstrated the possibility of solving a giant surface reconstruction using SXRD and STM. The reconstructed structure consists of Ge pentagons, hexagons, and heptagons, with the inclusion of a few dispersed Ag atoms.
Article
Chemistry, Multidisciplinary
Andreas Jeindl, Jari Domke, Lukas Hoermann, Falko Sojka, Roman Forker, Torsten Fritz, Oliver T. Hofmann
Summary: The fabrication of nanomaterials involves self-organization processes of functional molecules on inorganic surfaces. By equipping molecules with functional groups, specific molecular arrangements can be obtained. However, the complexities of processes at interfaces can lead to unexpected structures, as shown in the example of a series of quinones on Ag(111). The study reveals a nonintuitive interplay of important interaction mechanisms, challenging the design of functional interfaces despite the ability to devise design principles for self-assembly of functionalized molecules.
Article
Chemistry, Physical
Yuuki Adachi, Runnan Zhang, Xinbo Wang, Masahiro Fukuda, Taisuke Ozaki, Yoshiaki Sugimoto
Summary: The placement of a silicon impurity atom on monolayer silicene forms a two-dimensional island, which can be manipulated to achieve atomic-scale control over silicon structures. Density functional theory calculations confirm the local reconstruction of monolayer silicene induced by the silicon impurity atom. Our findings indicate that controlling the buckling structure of monolayer silicene can tune the band structures and functionalities, which is significant for applications.
APPLIED SURFACE SCIENCE
(2023)
Review
Nanoscience & Nanotechnology
S. Colonna, R. Flammini, F. Ronci
Summary: This paper reviews the research activity of the author's group in the field of silicene synthesis and properties, focusing on the interaction between silicon deposition and silicon substrate, and discussing the debated formation of silicene from unsaturated silicon compounds.
Article
Materials Science, Multidisciplinary
Cong Wang, Huimin Wang, Wenda Yao, Sheng Meng, Jinglan Qiu, Ying Liu
Summary: This study investigates the adsorption behavior of potassium atoms on silicene using experimental and computational methods. The results reveal an intriguing structural phase transition and high mobility of potassium atoms on silicene, indicating a weak interaction between them. Additionally, the study confirms the characteristic properties of silicene through experimental measurements.
Article
Chemistry, Physical
Egidius W. F. Smeets, Geert-Jan Kroes
Summary: Accurately modeling heterogeneous catalysis requires precise descriptions of rate-controlling elementary reactions on metal surfaces, which can be achieved through a specific reaction parameter approach to density functional theory. Combining meta-generalized gradient approximation density functionals with nonlocal correlation leads to improved accuracy in describing gas-surface systems, although at the expense of slightly less accurate metal descriptions compared to standard DFs. The results indicate that the combination of MS mGGA DFs with nonlocal correlation provides a better description of gas-surface reactions involving late transition metals.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Physical
Buddhika S. A. Gedara, Mark Muir, Arephin Islam, Dairong Liu, Michael Trenary
Summary: The study found that Ag atoms can migrate to cover Pd islands at room temperature, leading to vacancies in the middle of the islands and second layer growth. Upon annealing, most Pd islands are encapsulated by Ag atoms to form an Ag/Pd/Ag(111) structure.
JOURNAL OF PHYSICAL CHEMISTRY C
(2021)
Article
Chemistry, Multidisciplinary
Xue-Qing Yang, Jun-Jie Duan, Jie Su, Xinnan Peng, Zhen-Yu Yi, Ruo-Ning Li, Jiong Lu, Sheng-Fu Wang, Ting Chen, Dong Wang
Summary: Aromatic ring fusion to porphyrins and their derivatives can be achieved via surface-assisted gamma-ortho cyclodehydrogenation, leading to the formation of nearly planar gamma-ortho fused porphyrins with decreased electronic gap compared to the precursor.
Article
Materials Science, Coatings & Films
Shivani Varshney, Jun Nogami
Summary: Ultra-thin CsBr overlayers on the Ag (111) surface exhibit NaCl crystal structure instead of bulk CsBr structure in the first two atomic layers, with stability up to five monolayers and mobility up to 1.1nm thickness observed at room temperature. CsBr, a crucial component for growing CsPbBr3 perovskites, could provide valuable reference information for understanding the growth of CsPbBr3 perovskite thin films under similar conditions.
JOURNAL OF VACUUM SCIENCE & TECHNOLOGY A
(2021)
Article
Chemistry, Multidisciplinary
Naoya Kawakami, Ryuichi Arafune, Emi Minamitani, Kazuaki Kawahara, Noriaki Takagi, Chun-Liang Lin
Summary: In this study, we demonstrate the growth process of novel two-dimensional silicene on Ag(111) and reveal the mechanism, including the dewetting phenomenon and the influence of activation energy differences. This is crucial for understanding the kinetic process of growing metastable two-dimensional materials.
Article
Chemistry, Physical
Mohan Kumar Kuntumalla, Yusen Zheng, Mohammed Attrash, Gilad Gani, Shaul Michaelson, Kai Huang, Alon Hoffman
Summary: This study investigates the physico-chemical properties of nitrided diamond surface through experimental and theoretical methods. The results indicate that the nitrogen coverage on the diamond surface is relatively low, and it desorbs at lower temperatures. Compared to the hydrogenated diamond surface, the nitrided surface exhibits an increased electron affinity and work function. The experimental observations also suggest that the damage to the diamond surface caused by the nitridation process is minimal.
APPLIED SURFACE SCIENCE
(2022)
Article
Materials Science, Multidisciplinary
P. Walter, J. Wernecke, M. Scholz, D. Reuther, A. Rothkirch, D. Haas, J. Blume, A. Resta, A. Vlad, O. Faley, S. Schipmann, A. Nent, O. Seeck, A. -C. Dippel, U. Klemradt
Summary: Sputter deposition is a crucial technique for thin film deposition, with the characterization of film formation and growth in real time using various X-ray techniques contributing to a better understanding of thin film microstructure evolution.
JOURNAL OF MATERIALS SCIENCE
(2021)
Article
Computer Science, Interdisciplinary Applications
Takeo Hoshi, Daishiro Sakata, Shotaro Oie, Izumi Mochizuki, Satoru Tanaka, Toshio Hyodo, Koji Hukushima
Summary: This article proposes a data analysis method for experimentally-derived measurements, which includes an auto-optimization procedure and a sensitivity analysis. The method is applied to a total-reflection high-energy positron diffraction (TRHEPD) experiment to determine surface structures or the position of atoms near the material surface. Numerical solutions to partial differential equations and sensitivity analysis are used to handle experimental uncertainties and parameter variations. The analysis is completed within a reasonable computational time using a modern massively parallel supercomputer. The effectiveness of the method is demonstrated in the determination of a specific surface structure, and it is applicable to other experiments as well.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Article
Spectroscopy
Y. Kubota, Sh. Yamamoto, T. Someya, Y. Hirata, K. Takubo, M. Araki, M. Fujisawa, K. Yamamoto, Y. Yokoyama, M. Taguchi, S. Yamamoto, M. Tsunoda, H. Wadati, S. Shin, I. Matsuda
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
(2017)
Article
Chemistry, Physical
Kaori Takeuchi, Susumu Yamamoto, Yuji Hamamoto, Yuichiro Shiozawa, Keiichiro Tashima, Hirokazu Fukidome, Takanori Koitaya, Kozo Mukai, Shinya Yoshimoto, Maki Suemitsu, Yoshitada Morikawa, Jun Yoshinobu, Iwao Matsuda
JOURNAL OF PHYSICAL CHEMISTRY C
(2017)
Article
Spectroscopy
Sh. Yamamoto, D. Oumbarek, M. Fujisawa, T. Someya, Y. Takahashi, T. Yamamoto, N. Ishii, K. Yaji, S. Yamamoto, T. Kanai, K. Okazaki, M. Kotsugi, J. Itatani, S. Shin, I. Matsuda
JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA
(2018)
Review
Physics, Applied
Yuki Fukaya, Atsuo Kawasuso, Ayahiko Ichimiya, Toshio Hyodo
JOURNAL OF PHYSICS D-APPLIED PHYSICS
(2019)
Article
Chemistry, Physical
Y. Endo, Y. Fukaya, I Mochizuki, A. Takayama, T. Hyodo, S. Hasegawa
Article
Instruments & Instrumentation
K. Wada, M. Maekawa, I Mochizuki, T. Shidara, A. Kawasuso, M. Kimura, T. Hyodo
NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION A-ACCELERATORS SPECTROMETERS DETECTORS AND ASSOCIATED EQUIPMENT
(2020)
Article
Computer Science, Interdisciplinary Applications
Takeo Hoshi, Daishiro Sakata, Shotaro Oie, Izumi Mochizuki, Satoru Tanaka, Toshio Hyodo, Koji Hukushima
Summary: This article proposes a data analysis method for experimentally-derived measurements, which includes an auto-optimization procedure and a sensitivity analysis. The method is applied to a total-reflection high-energy positron diffraction (TRHEPD) experiment to determine surface structures or the position of atoms near the material surface. Numerical solutions to partial differential equations and sensitivity analysis are used to handle experimental uncertainties and parameter variations. The analysis is completed within a reasonable computational time using a modern massively parallel supercomputer. The effectiveness of the method is demonstrated in the determination of a specific surface structure, and it is applicable to other experiments as well.
COMPUTER PHYSICS COMMUNICATIONS
(2022)
Article
Optics
A. Kawasuso, M. Maekawa, A. Miyashita, K. Wada, Y. Nagashima, A. Ishida
Summary: Positronium emission from wurtzite GaN(0001) and AlN(0001) surfaces was observed, with energy spectra containing two components attributed to positronium formed from valence and conduction electrons through detailed analyses based on Monte Carlo simulations. These results contribute to the understanding of positronium emission from other surfaces like 4H SiC(0001) and Si(111).
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
(2021)
Article
Education, Scientific Disciplines
Toshio Hyodo
Summary: This article examines a long-standing controversy regarding the causes of the magnetic field in and around a parallel-plate capacitor. It identifies three possible sources of contention, including the ambiguous initial impression given by the calculation of the magnetic field using the integral form of the Ampere-Maxwell law, misinterpretation of this law as a cause-effect formula, and insufficient recognition of the distinct irrotational and divergence-free fields in Maxwell's equations.
EUROPEAN JOURNAL OF PHYSICS
(2022)
Article
Chemistry, Multidisciplinary
Baojie Feng, Jin Zhang, Suguru Ito, Masashi Arita, Cai Cheng, Lan Chen, Kehui Wu, Fumio Komori, Osamu Sugin, Koji Miyamoto, Taichi Okuda, Sheng Meng, Iwao Matsuda
ADVANCED MATERIALS
(2018)
Proceedings Paper
Physics, Particles & Fields
Toshio Hyodo, Izumi Mochizuki, Ken Wada, Nobukazu Toge, Tetsuo Shidara
INTERNATIONAL WORKSHOP ON PHYSICS WITH POSITRONS AT JEFFERSON LAB
(2018)
Article
Nanoscience & Nanotechnology
Ken Wada, Tetsuroh Shirasawa, Izumi Mochizuki, Masanori Fujinami, Masaki Maekawa, Atsuo Kawasuso, Toshio Takahashi, Toshio Hyodo
E-JOURNAL OF SURFACE SCIENCE AND NANOTECHNOLOGY
(2018)
Proceedings Paper
Physics, Multidisciplinary
T. Hyodo, K. Wada, I. Mochizuki, M. Kimura, N. Toge, T. Shidara, Y. Fukaya, M. Maekawa, A. Kawasuso, S. Iida, K. Michishio, Y. Nagashima
14TH INTERNATIONAL WORKSHOP ON SLOW POSITRON BEAM TECHNIQUES & APPLICATIONS
(2017)
Article
Physics, Applied
Kou Takubo, Kohei Yamamoto, Yasuyuki Hirata, Yuichi Yokoyama, Yuya Kubota, Shingo Yamamoto, Susumu Yamamoto, Iwao Matsuda, Shik Shin, Takeshi Seki, Koki Takanashi, Hiroki Wadati
APPLIED PHYSICS LETTERS
(2017)
