High-throughput computational design of Mo3Al2C -like noncentrosymmetric superconductors with multifold degenerate fermions
Source abstract
Abstract
Nonsymmorphic chiral superconductors, like ${\mathrm{Mo}}3{\mathrm{Al}}2\mathrm{C}$, are promising candidates to explore parity mixing and multifold degenerate fermions. However, only ${\mathrm{Mo}}3{\mathrm{Al}}2\mathrm{C}$ and ${\mathrm{W}}3{\mathrm{Al}}2\mathrm{C}$ in the ${\mathrm{Mo}}3{\mathrm{Al}}2\mathrm{C}$ family have been identified up to now. We carry out a high-throughput materials screening procedure on ${\mathrm{Mo}}3{\mathrm{Al}}2\mathrm{C}$-like crystals based on first principles calculations. We report 21 crystals in this family based on systematic stability evaluations and perform electron-phonon coupling strength calculations for all of them. Additionally, the band structures of these compounds indicate that almost all of these compounds can hold multiple fermions near the Fermi level. This study may contribute to the discovery of more novel NCSs with multiple degenerate fermions.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Iron-based superconductors research · MXene and MAX Phase Materials · Inorganic Chemistry and Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Physical Science and Technology, Northwestern Polytechnical University, Xian 710072, China
School of Naval Architecture and Maritime, Zhejiang Ocean University, Zhoushan 316022, China
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, 200 Xiao Ling Wei Street, Nanjing 210094, China
Research and Development Institute of Northwestern Polytechnical University in Shenzhen, Shenzhen 518057, China
Funding
National Natural Science Foundation of China · Chinese Academy of Sciences · Zhejiang Ocean University · Shaanxi Provincial Science and Technology Department · Shenzhen Fundamental Research Program · Northwestern Polytechnical University
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