NIMS AWARD SYMPOSIUM 2024 | Abstracts
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Fig. 1: Contour maps for the β-FeSi2/Si(001) interface bands within the first Brillouin zone at the various energies around the calculated Fermi energy.84As silicon-based electronic devices continue to shrink in scale, the exploration of novel two-dimensional materials compatible with silicon architectures becomes increasingly critical. In this study, we investigate the atomistic interface structure between β-iron silicide (β-FeSi2) and a Si(001) substrate using cross-sectional scanning transmission electron microscopy and density functional theory (DFT) calculations [1]. Our results demonstrate that the β-FeSi2(100) plane bonds to the Si(001) plane through two silicon dimers per unit cell. DFT band structure calculations further reveal the localization of metallic electronic states at the interface. This finding indicates the presence of two-dimensional electronic states at the β-FeSi2/Si(001) interface, which could offer promising applications for silicon-based electronic devices.We have developed Starrydata web system [1-2], an open database of experimental materials data collected by tracing plot images in literature. This web system allows users, including our data curators to share experimental data, with figure captions, sample information and other short explanatory text. The data on Starrydata are open to the public, and it can be used freely both for commercial and non-commercial purposes. We introduce our datasets for various functional materials extracted from plot images in published papers. Thermoelectric materials project is our largest data collection project on Starrydata, containing curves obtained from ~50,000 physical samples reported in ~10,000 papers, with compositions and fabrication methods. Data collection by the human curators were accelerated by improving the data digitizer and implementing an automatic retrieval system of sample information. [1] K. Sagisaka, K. Mitsuishi, Submitted to Appl. Surf. Sci.Starrydata: an Open Database of Experimental Measurement Data from Published Plots P5-07Predictive Modeling of Two-Dimensional Electron Gas Formation at the β-FeSi2/Si(001) InterfaceKeisuke Sagisaka and Kazutaka MitsuishiCenter for Basic Research on Materials, National Institute for Materials Science (NIMS)P5-08Yukari Katsura1,2,3, Tomoya Mato1, Yu Takada1, Erina Fujita1,4, Eiji Koyama1, Atsumi Tanaka1, Fumikazu Hosono1, Dewi Yana1, Naoto Saito1, Yoshihiro Sakamoto3, and Masaya Kumagai3,5 1 Center for Basic Research on Materials, National Institute for Materials Science (NIMS) 2 Graduate School of Science and Technology, University of Tsukuba 3 RIKEN Center for Advanced Intelligence Project, RIKEN 4 The Institute of Statistical Mathematics 5 SAKURA Internet, Inc. [1] Yukari Katsura, Masaya Kumagai et al., Sci. Technol. Adv. Mater., 20 (1) 511-520 (2019). [2] Starrydata2 web system: URL: https://www.starrydata2.org/

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