Machine learning approach to genome of two-dimensional materials with flat electronic bands

التفاصيل البيبلوغرافية
العنوان: Machine learning approach to genome of two-dimensional materials with flat electronic bands
المؤلفون: Bhattacharya, Anupam, Timokhin, Ivan, Chatterjee, Ratnamala, Yang, Qian, Mishchenko, Artem
المصدر: npj Computational Materials, 9, 101 (2023)
سنة النشر: 2022
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Mesoscale and Nanoscale Physics
الوصف: Many-body physics of electron-electron correlations plays a central role in condensed mater physics, it governs a wide range of phenomena, stretching from superconductivity to magnetism, and is behind numerous technological applications. To explore this rich interaction-driven physics, two-dimensional (2D) materials with flat electronic bands provide a natural playground thanks to their highly localised electrons. Currently, thousands of 2D materials with computed electronic bands are available in open science databases, awaiting such exploration. Here we used a new machine learning algorithm combining both supervised and unsupervised machine intelligence to automate the otherwise daunting task of materials search and classification, to build a genome of 2D materials hosting flat electronic bands. To this end, a feedforward artificial neural network was employed to identify 2D flat band materials, which were then classified by a bilayer unsupervised learning algorithm. Such a hybrid approach of exploring materials databases allowed us to reveal completely new material classes outside the known flat band paradigms, offering new systems for in-depth study on their electronic interactions.
نوع الوثيقة: Working Paper
DOI: 10.1038/s41524-023-01056-x
URL الوصول: http://arxiv.org/abs/2207.09444
رقم الأكسشن: edsarx.2207.09444
قاعدة البيانات: arXiv
الوصف
DOI:10.1038/s41524-023-01056-x