报告题目: Superconducting or Not? A Story about Hydrides at High Pressures

报告人: Tiange Bi, Earth and Planets Laboratory of the Carnegie Institution for Science

报告时间: 2022年06月2日 10:00

报告地点: 吉林大学中心校区唐敖庆楼B区521会议室

Zoom会议号: 950 680 6742 密码: 2022

报告摘要

　　It has been proposed that hydrogen will become an alkali metal-like mono atomic solid under pressure, with a high superconducting critical transition temperature, Tc, because it is the lightest element (has large phonon frequencies), does not have any core electrons, forms strong covalent bonds (resulting in a large electron-phonon coupling), and has wide bands with substantial density of states at the Fermi Level.  All these qualities would make it a good conventional superconductor. However, up to the center of the Earth pressures as achieved in diamond anvil cell (DAC) experiments, researchers haven’t created this form of hydrogen. Our research mainly focuses on hydrogen-rich materials because it has been proposed that the metallization pressure of hydrogen could be decreased via “chemical precompresion”. We have carried out EA searches to explore the phase diagram of compressed hydrides, and to identify the stable or metastable structures. Next, we have calculated the electron-phonon coupling (EPC) parameters. Then, we estimated Tc values using the Allen-Dynes modified McMillan Equation and/or by numerically solving the Eliashberg equations. Using this method, we have successfully investigated phosphorus hydrides, iron hydrides, C-S-H, and Li-F-H systems.

报告人简介

　　Tiange Bi is a Postdoctoral Fellow working with Timothy Strobel, Ronal Cohen, and Peter Driscoll. She received her Ph.D. under supervision of Prof. Eva Zurek in chemistry from the University of New York at Buffalo in 2020. Her research is concerned with crystal structure prediction of new clathrate structures, and theoretical studies of the transport properties of iron alloys in the Earth and planetary cores. She published 19 papers including J. Am. Chem. Soc., Angew. Chem. Int. Ed. et al. She is Condensed Matter: Editorial Board Member. She is also a receipt of APC DCOMP student travel award and 2020 best PhD dissertation award.

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36365线路检测中心

计算方法与软件国际中心