Residential College | false |
Status | 已發表Published |
Emergent superconductivity in clathrate Sr(B,C)9 at low pressures | |
Zhang, Dandan1; Bhullar, Mangladeep2; Cui, Xiangyue3; Zhang, Miao4![]() ![]() | |
2025 | |
Source Publication | Computational Materials Science
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ISSN | 0927-0256 |
Volume | 246Pages:113419 |
Abstract | The experimental synthesis of superconducting clathrate SrBC has attracted considerable attention to strontium B-C compounds. We conducted a systematic prediction of the crystal structures for the SrBC system under low-pressure conditions, using an effective unbiased structure search method. By evaluating the formation enthalpies and phonon dispersions, we established the thermodynamic and dynamic stability of two new compounds, SrBC and SrBC. These compounds exhibit remarkable mechanical properties, characterized by the calculated Vickers hardness values ranging from 21.4 to 34.0 GPa. Both SrBC and SrBC are metallic, as shown by the crossing of the bonding and antibonding states of the B-p orbitals at the Fermi level. Using the Migdal-Eliashberg theory to evaluate the electron–phonon coupling, we found that SrBC lacks superconductivity, whereas clathrate SrBC is calculated to exhibit superconductivity of 5.7 K under ambient pressure conditions. This discovery provides valuable insights into the exploration of boron–carbon clathrate superconducting materials with exceptional mechanical properties. |
Keyword | Boron-carbon Clathrates Electronic Structure First Principles Mechanical Properties Superconductivity |
DOI | 10.1016/j.commatsci.2024.113419 |
URL | View the original |
Indexed By | SCIE |
Language | 英語English |
WOS Research Area | Materials Science |
WOS Subject | Materials Science, Multidisciplinary |
WOS ID | WOS:001328091200001 |
Publisher | ELSEVIERRADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS |
Scopus ID | 2-s2.0-85204938556 |
Fulltext Access | |
Citation statistics | |
Document Type | Journal article |
Collection | University of Macau |
Corresponding Author | Zhang, Miao; Wang, Hui |
Affiliation | 1.Key Laboratory for Photonic and Electronic Bandgap Materials (Ministry of Education), School of Physics and Electronic Engineering, Harbin Normal University, Harbin, 150025, China 2.Department of Physics and Engineering Physics, University of Saskatchewan, Saskatoon, S7N 5E2, Canada 3.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, Macao 4.Department of Physics, School of Sciences, Beihua University, Jilin, 132013, China |
Recommended Citation GB/T 7714 | Zhang, Dandan,Bhullar, Mangladeep,Cui, Xiangyue,et al. Emergent superconductivity in clathrate Sr(B,C)9 at low pressures[J]. Computational Materials Science, 2025, 246, 113419. |
APA | Zhang, Dandan., Bhullar, Mangladeep., Cui, Xiangyue., Zhang, Miao., Wang, Hui., & Yao, Yansun (2025). Emergent superconductivity in clathrate Sr(B,C)9 at low pressures. Computational Materials Science, 246, 113419. |
MLA | Zhang, Dandan,et al."Emergent superconductivity in clathrate Sr(B,C)9 at low pressures".Computational Materials Science 246(2025):113419. |
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