Superconductivity in Li8Au electride

التفاصيل البيبلوغرافية
العنوان: Superconductivity in Li8Au electride
المؤلفون: Zhang, Xiaohua, Yao, Yansun, Ding, Shicong, Bergara, Aitor, Li, Fei, Liu, Yong, Zhou, Xiang-Feng, Yang, Guochun
سنة النشر: 2023
المجموعة: Condensed Matter
مصطلحات موضوعية: Condensed Matter - Superconductivity
الوصف: Located at crystal voids, interstitial anion electrons (IAEs) have diverse topologies, which may be tuned to achieve new properties. Elucidating the role of IAEs in electron-phonon coupling (EPC), and using it to design new electride superconductors, leads to the current prediction of superconducting Li8Au at high pressure. We suggest that the occurence of high-temperature superconductivity in electrides requires high-symmetry structures with hydrogen-like cages, an electron acceptor element to balance charges, and isolated IAEs coupled with medium-frequency vibrations. The uniquely designed Li8Au electride has a NaCl-type (B1) lattice, with atomic Au and cubic Li8 cages as bases. Isolated IAEs are formed at the cage centers, with extra charges taken up by Au. These octahedrally coordinated IAEs have a p-orbital-like attribute and are strongly coupled with atomic vibrations in the Li8 cages. The strong EPC in Li8Au results in a calculated Tc of 73.1 K at 250 GPa, which is the highest Tc reported to date for all the electrides. A slight substitutional Pt doping can enhance the Tc of Li8Au to exceed liquid nitrogen temperature.
Comment: 7 Pages, 3 Figures
نوع الوثيقة: Working Paper
DOI: 10.1103/PhysRevB.107.L100501
URL الوصول: http://arxiv.org/abs/2302.06999
رقم الأكسشن: edsarx.2302.06999
قاعدة البيانات: arXiv
الوصف
DOI:10.1103/PhysRevB.107.L100501