Dynamical approach to realize room-temperature superconductivity in LaH10

IF 11.9 1区 材料科学 Q1 CHEMISTRY, PHYSICAL
Chendi Xie, Adam D. Smith, Haoran Yan, Wei-Chih Chen, Yao Wang
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引用次数: 0

Abstract

Metallic hydrogen and hydride materials stand as promising avenues to achieve room-temperature superconductivity. Characterized by their high phonon frequencies and moderate coupling strengths, several high-pressure hydrides were theoretically predicted to exhibit transition temperatures (Tc) exceeding 250 K, a claim further substantiated by experimental evidence. In an effort to push Tc beyond room temperature, we introduce a dynamical method that involves stimulating hydrides with mid-infrared lasers. Employing Floquet first-principles simulations, we observe that in a nonequilibrium state induced by light, both the electronic density of states and the coupling to high-energy phonons see notable enhancements. These simultaneous improvements collectively could potentially result in an estimated 20%–30% rise in Tc in practical pump conditions. Our theoretical investigation, therefore, offers a novel strategy to potentially raise the Tc of hydrides above room temperature.

Abstract Image

实现LaH10室温超导性的动力学方法
金属氢和氢化物材料是实现室温超导的有希望的途径。一些高压氢化物具有高声子频率和中等耦合强度的特点,理论上预测其转变温度(Tc)超过250 K,实验证据进一步证实了这一说法。在努力推动Tc超越室温,我们介绍了一种动态方法,包括用中红外激光刺激氢化物。利用Floquet第一原理模拟,我们观察到在光诱导的非平衡态下,态的电子密度和与高能声子的耦合都有显著的增强。这些同时进行的改进可能会使实际泵工况下的Tc提高20%-30%。因此,我们的理论研究提供了一种新的策略,可以将氢化物的Tc提高到室温以上。
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来源期刊
npj Computational Materials
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.
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