Electronic and Structural Properties of High Temperature Superconductors at High Pressure

A special issue of Applied Sciences (ISSN 2076-3417). This special issue belongs to the section "Applied Physics General".

Deadline for manuscript submissions: closed (20 July 2022) | Viewed by 2120

Special Issue Editors


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Guest Editor
Theory and Simulation of Condensed Matter, King’s College London, The Strand, London WC2R 2LS, UK
Interests: dynamical mean field theory DMFT; density functional theory DFT; first principle structure; superconductivity; many body physics; quantum computing algorithms; machine learning for condensed matter; correlated materials

E-Mail Website
Guest Editor
King’s College London, Theory and Simulation of Condensed Matter, The Strand, London WC2R 2LS, UK
Interests: topological systems; first-principle calculations; high pressure science; many-body physics; software developments

Special Issue Information

Dear Colleagues,

The search for superconducting metallic hydrogen at very high pressures has long been viewed as a key problem in physics. The prediction of high-temperature Tc superconductivity in hydrogen-rich materials has driven scientists to seek high critical temperatures at experimentally accessible pressures (i.e., below 300 GPa), where samples can be characterized with the currently available tools. This has opened a new search for high Tc in the hydride family, especially at lower pressures. Systematic theoretical structure searching in the La–H and Y–H systems has revealed numerous hydrogen-rich compounds with Tc in the neighborhood of room temperature (above 270 K), generating tremendous interest in the field, and a path for future progress.

We are delighted to welcome submissions to our Special Issue entitled “Electronic and Structural Properties of High Temperature Superconductors at High Pressure”. This Special Issue will address the rapid progress made in the synthesis and discovery of superconductivity at ultra-high pressure. Tremendous advances have been made in many cases by joint theoretical and experimental progresses. The overall aim of this Special Issue is to strengthen the links between state-of-the-art experimental and theoretical work, both on the front of materials discovery (ternary hydrides, doped systems, etc.) and at the level of fundamental understanding of the underlying physics, in particular on the level of the interplay between lattice dynamics and electronic correlations, such as magnetism.

Dr. Cedric Weber
Dr. Evgeny Plekhanov
Guest Editors

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Keywords

  • high temperature superconductivity
  • transport
  • first-principle calculations
  • diamond anvil cell
  • X-ray diffraction
  • many-body effects
  • materials prediction
  • high throughput
  • structure search
  • high pressure
  • laser science

Published Papers (1 paper)

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Research

11 pages, 947 KiB  
Article
High-Temperature Superconductivity in the Lanthanide Hydrides at Extreme Pressures
by Yao Wei, Francesco Macheda, Zelong Zhao, Terence Tse, Evgeny Plekhanov, Nicola Bonini and Cedric Weber
Appl. Sci. 2022, 12(2), 874; https://0-doi-org.brum.beds.ac.uk/10.3390/app12020874 - 15 Jan 2022
Cited by 4 | Viewed by 1715
Abstract
Hydrogen-rich superhydrides are promising high-Tc superconductors, with superconductivity experimentally observed near room temperature, as shown in recently discovered lanthanide superhydrides at very high pressures, e.g., LaH10 at 170 GPa and CeH9 at 150 GPa. Superconductivity is believed to be [...] Read more.
Hydrogen-rich superhydrides are promising high-Tc superconductors, with superconductivity experimentally observed near room temperature, as shown in recently discovered lanthanide superhydrides at very high pressures, e.g., LaH10 at 170 GPa and CeH9 at 150 GPa. Superconductivity is believed to be closely related to the high vibrational modes of the bound hydrogen ions. Here, we studied the limit of extreme pressures (above 200 GPa) where lanthanide hydrides with large hydrogen content have been reported. We focused on LaH16 and CeH16, two prototype candidates for achieving a large electronic contribution from hydrogen in the electron–phonon coupling. In this work, we propose a first-principles calculation platform with the inclusion of many-body corrections to evaluate the detailed physical properties of the Ce–H and La–H systems and to understand the structure, stability, and superconductivity of these systems at ultra-high pressure. We provide a practical approach to further investigate conventional superconductivity in hydrogen-rich superhydrides. We report that density functional theory provides accurate structure and phonon frequencies, but many-body corrections lead to an increase of the critical temperature, which is associated with the spectral weight transfer of the f-states. Full article
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