Plasmon assisted superconductivity in LiTi2O4

IF 13.1 1区材料科学 Q1 CHEMISTRY, PHYSICAL

npj Computational Materials Pub Date : 2026-08-07 DOI:10.1038/s41524-026-02254-z

Francesco Petocchi, Viktor Christiansson, Ryotaro Arita, Philipp Werner

引用次数: 0

Abstract

We combine GW plus extended dynamical mean field theory (GW+EDMFT) with the density functional theory for superconductors (SCDFT) framework to study the electronic properties of LiTi2O4. Excellent agreement with experiment is obtained for the density of states, mass enhancement, Sommerfeld coefficient and superconducting Tc, if the dynamical nature of the screened Coulomb interaction is taken into account. Our results show that the coupling to collective charge fluctuations (plasmons) plays an important role in the pairing mechanism and explains the remarkably high Tc of this moderately correlated spinel compound.

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等离子体激元辅助li2o4的超导性

我们将GW+扩展动态平均场理论（GW+EDMFT）与超导体密度泛函理论（SCDFT）框架相结合，研究了lit2o4的电子性质。如果考虑筛选后的库仑相互作用的动力学性质，得到的态密度、质量增强、索默菲尔德系数和超导Tc与实验结果非常吻合。我们的研究结果表明，与集体电荷波动（等离子激元）的耦合在配对机制中起着重要作用，并解释了这种中等相关尖晶石化合物的显著高Tc。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

npj Computational Materials Mathematics-Modeling and Simulation

CiteScore

15.30

自引率

5.20%

发文量

229

审稿时长

6 weeks

期刊介绍： npj Computational Materials is a high-quality open access journal from Nature Research that publishes research papers applying computational approaches for the design of new materials and enhancing our understanding of existing ones. The journal also welcomes papers on new computational techniques and the refinement of current approaches that support these aims, as well as experimental papers that complement computational findings. Some key features of npj Computational Materials include a 2-year impact factor of 12.241 (2021), article downloads of 1,138,590 (2021), and a fast turnaround time of 11 days from submission to the first editorial decision. The journal is indexed in various databases and services, including Chemical Abstracts Service (ACS), Astrophysics Data System (ADS), Current Contents/Physical, Chemical and Earth Sciences, Journal Citation Reports/Science Edition, SCOPUS, EI Compendex, INSPEC, Google Scholar, SCImago, DOAJ, CNKI, and Science Citation Index Expanded (SCIE), among others.