High-Temperature Conventional Superconductivity in the Boron-Carbon system: Material Trends
Abstract
In this work we probe the possibility of high-temperature conventional superconductivity in the boron-carbon system, using ab-initio screening. A database of 320 metastable structures with fixed composition (50/50) is generated with the Minima-Hopping method, and characterized with electronic and vibrational descriptors. Full electron-phonon calculations on sixteen representative structures allow to identify general trends in across and within the four families in the energy landscape, and to construct an approximate predictor, based on transparently interpretable and easily computable electronic and vibrational descriptors. Based on these, we estimate that around 10 of all metallic structures should exhibit 's above 30 . This work is a first step towards ab-initio design of new high- superconductors.
Cite
@article{arxiv.2004.03443,
title = {High-Temperature Conventional Superconductivity in the Boron-Carbon system: Material Trends},
author = {Santanu Saha and Simone Di Cataldo and Maximilian Amsler and Wolfgang von der Linden and Lilia Boeri and Graz University of Technology and NAWI Graz and 8010 Graz and Austria and Dipartimento di Fisica and Università di Roma La Sapienza and Piazzale Aldo Moro 5 and I-00185 Roma and Italy and Department of Materials Science and Engineering and Cornell University and Ithaca and New York 14853 and USA and Department of Chemistry and Biochemistry and University of Bern and Freiestrasse 3 and CH-3012 Bern and Switzerland},
journal= {arXiv preprint arXiv:2004.03443},
year = {2020}
}
Comments
16 pages, 21 figures, 1 table