The search for room-temperature superconductors is a major challenge in modern physics. The discovery of copper-oxide superconductors in 1986 brought hope but also revealed complex mechanisms that are difficult to analyze and compute. In contrast, the traditional electron-phonon coupling (EPC) mechanism facilitated the practical realization of superconductivity (SC) in metallic hydrogen. Since 2015, the discovery of new hydrogen compounds has shown that EPC can enable room-temperature SC under high pressures, driving extensive research. Advances in computational capabilities, especially exascale computing, now allow for the exploration of millions of materials. This paper reviews newly predicted superconducting systems in 2023-2024, focusing on hydrides, boron-carbon systems, and compounds with nitrogen, carbon, and pure metals. Although many computationally predicted high-superconductors were not experimentally confirmed, some low-temperature superconductors were successfully synthesized. This paper provides a review of these developments and future research directions.
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ACS Omega
December 2024
Research Center for Advanced Computing Infrastructure, JAIST, 1-1 Asahidai, Nomi 923-1211, Ishikawa, Japan.
There has been a marked increase in interest in high-temperature superconductors over the past few years, sparked by their potential to revolutionize multiple fields, including energy generation and transportation. A particularly promising avenue of exploration has emerged in the form of ternary superhydrides, compounds composed of hydrogen along with two other rare-earth elements. Our investigation focuses on the search for Y-Th-H ternary compounds; employing an evolutionary search methodology complemented by electron-phonon calculations reveals a stable superhydride, 6̅2-YThH, capable of exhibiting a critical temperature ( ) as high as 222 K at 200 GPa along a few low- novel hydrides.
View Article and Find Full Text PDFNano Lett
December 2024
Department of Chemistry, University of California, Berkeley, California 94720, United States.
The utilization of excited charge carriers in semiconductor nanocrystals (NCs) for optoelectronic technologies has been a long-standing goal in the field of nanoscience. Experimental efforts to extend the lifetime of excited carriers have therefore been a principal focus. To understand the limits of these lifetimes, in this work, we theoretically study the time scales of pure electron relaxation in negatively charged NCs composed of two prototypical materials: CdSe and CdS.
View Article and Find Full Text PDFJ Low Temp Phys
May 2024
Nordita, KTH Royal Institute of Technology and Stockholm University, 106 91 Stockholm, Sweden.
Recent reports of room-temperature, ambient pressure superconductivity in copper-substituted lead phosphate apatite, commonly referred to as LK99, have prompted numerous theoretical and experimental studies into its properties. As the electron-phonon interaction is a common mechanism for superconductivity, the electron-phonon coupling strength is an important quantity to compute for LK99. In this work, we compare the electron-phonon coupling strength among the proposed compositions of LK99.
View Article and Find Full Text PDFJ Phys Condens Matter
December 2024
Department of Applied Physics and Materials Science, California Institute of Technology, 1200 E California Blvd, Pasadena, California, 91125, UNITED STATES.
Charge transport is important in organic molecular crystals (OMCs), where high carrier mobilities are desirable for a range of applications. However, modeling and predicting the mobility is chal- lenging in OMCs due to their complex crystal and electronic structures and electron-phonon (e-ph) interactions. Here we show accurate first-principles calculations of electron and hole carrier mobility in several OMCs: benzene, anthracene, tetracene, pentacene, and biphenyl.
View Article and Find Full Text PDFPhys Rev Lett
November 2024
Department of Applied Physics and Materials Science, and Department of Physics, California Institute of Technology, Pasadena, California 91125, USA.
The spectral and transport properties of strongly correlated metals, such as SrVO_{3} (SVO), are widely attributed to electron-electron (e-e) interactions, with lattice vibrations (phonons) playing a secondary role. Here, using first-principles electron-phonon (e-ph) and dynamical mean field theory calculations, we show that e-ph interactions play an essential role in SVO: they govern the electron scattering and resistivity in a wide temperature range down to 30 K, and induce an experimentally observed kink in the spectral function. In contrast, the e-e interactions control quasiparticle renormalization and low temperature transport, and enhance the e-ph coupling.
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