Ordered ground state configurations of the asymmetric Wigner bilayer system—Revisited with unsupervised learning

Author:

Hartl Benedikt12ORCID,Mihalkovič Marek3ORCID,Šamaj Ladislav3ORCID,Mazars Martial4ORCID,Trizac Emmanuel45ORCID,Kahl Gerhard1ORCID

Affiliation:

1. Institute for Theoretical Physics and Center for Computational Materials Science (CMS), TU Wien 1 , Vienna, Austria

2. Allen Discovery Center, Tufts University, Medford, Massachusetts 02155 2 , USA

3. Institute of Physics, Slovak Academy of Sciences 3 , Bratislava, Slovakia

4. Université Paris-Saclay, Université Paris-Saclay, CNRS, LPTMS 4 , Orsay, France

5. ENS de Lyon, 46 allée d'Italie, 69364 Lyon 5 , France

Abstract

We have reanalyzed the rich plethora of ground state configurations of the asymmetric Wigner bilayer system that we had recently published in a related diagram of states [Antlanger et al., Phys. Rev. Lett. 117, 118002 (2016)], comprising roughly 60 000 state points in the phase space spanned by the distance between the plates and the charge asymmetry parameter of the system. In contrast to this preceding contribution where the classification of the emerging structures was carried out “by hand,” we have used for the present contribution machine learning concepts, notably based on a principal component analysis and a k-means clustering approach: using a 30-dimensional feature vector for each emerging structure (containing relevant information, such as the composition of the configuration as well as the most relevant order parameters), we were able to reanalyze these ground state configurations in a considerably more systematic and comprehensive manner than we could possibly do in the previously published classification scheme. Indeed, we were now able to identify new structures in previously unclassified regions of the parameter space and could considerably refine the previous classification scheme, thereby identifying a rich wealth of new emerging ground state configurations. Thorough consistency checks confirm the validity of the newly defined diagram of states.

Funder

Akademie der Wissenschaften

Slovak Grant Agency

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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