论文标题

通过优化lah $ _ {10} $来达到室温超导性?

Reaching room temperature superconductivity by optimizing doping in LaH$_{10}$?

论文作者

Flores-Livas, José A., Wang, Tianchun, Nomoto, Takuya, Koretsune, Takashi, Ma, Yanming, Arita, Ryotaro, Eremets, Mikhail

论文摘要

从直觉上讲,掺杂代表了优化最佳前景超导体(SC)的最有希望的途径之一,例如具有创纪录的临界温度的常规高压SC。但是,在高压(HP)上掺杂非常具有挑战性,并且没有一个以受控方式实现它的途径。在计算模拟的帮助下,我们表明,首先要合金材料合金,然后在温和部压力下($ \ $ \ $ \ $ 1.5 MBAR)融合了高比率。我们的理论结果证明了调整LAH $ _ {10} $的电子结构的可能性,通过掺杂各种元素并改变其超导性能来增加费米水平上状态的密度。我们发现铝在费米水平上的职业增加了30%以上。纳入其他元素,例如Si,Ge,H,IR,CA和其他具有不同百分比的其他元素,也有利于调整电子结构。更重要的是,这些预测在于实验可达到的掺杂水平。同样,我们首次阐明了缺陷和空缺的形成如何影响HP-Hydride超导体的电子结构。这项工作中提出的概念可以扩展到其他基于氢的高压超导体,例如H $ _3 $ s。可以说,兴奋剂是达到室温超导性的有前途的途径之一,这是凝结物理的圣杯。

Intuitively, doping represents one of the most promising avenues for optimization of best prospect superconductors (SC) such as conventional high-pressure SCs with record critical temperatures. However, doping at high pressure (HP) is very challenging, and there is not a proved route to achieve it in a controlled fashion. Aided by computing simulations, we show that it may be plausible to start by alloying primary materials and subsequently incorporate high ratios of hydrogen at moderates pressures ($\approx$1.5 Mbar). Our theoretical results evidence the possibility to tune the electronic structure of LaH$_{10}$, increase the density of states at the Fermi level by doping of various elements and hence change their superconducting properties. We found aluminium to increase the occupation at the Fermi level by more than 30 %. Incorporation of other elements such as Si, Ge, H, Ir, Ca, and others with a varying percentage also play in favour to tune the electronic structure. More importantly, these predictions lie in experimentally attainable doping levels. Also, for the first time, we shed light on how the formation of defects and vacancies influence on the electronic structure of a HP-hydride superconductor. The concepts presented in this work can be extended to other high-pressure, hydrogen-based superconductors such as H$_3$S. Arguably, doping is one of the promising paths to reach room-temperature superconductivity, a Holy grail of condensed matter physics.

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