High-Temperature Conventional Superconductivity in the Boron-Carbon system: Material Trends
Abstrak
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 $T_{\textrm{c}}$ across and within the four families in the energy landscape, and to construct an approximate $T_{\textrm{c}}$ 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 $T_{\textrm{c}}$'s above 30 $K$. This work is a first step towards ab-initio design of new high-$T_{\textrm{c}}$ superconductors.
Topik & Kata Kunci
Penulis (26)
Santanu Saha
Simone Di Cataldo
Maximilian Amsler
Wolfgang von der Linden
Lilia Boeri
Graz University of Technology
NAWI Graz
8010 Graz
Austria
Dipartimento di Fisica
Università di Roma La Sapienza
Piazzale Aldo Moro 5
I-00185 Roma
Italy
Department of Materials Science
Engineering
Cornell University
Ithaca
New York 14853
USA
Department of Chemistry
Biochemistry
University of Bern
Freiestrasse 3
CH-3012 Bern
Switzerland
Akses Cepat
- Tahun Terbit
- 2020
- Bahasa
- en
- Sumber Database
- arXiv
- Akses
- Open Access ✓