Design of high-temperature superconductors at moderate pressures by alloying AlH3 or GaH3

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外文摘要：Since the discovery of hydride superconductors,a significant challenge has been to reduce the pressure required for their stabilization.In this context,we propose that alloying could be an effective strategy to achieve this.We focus on a series of alloyed hydrides with the AMH6 composition,which can be made via alloying A15 AH3(A=Al or Ga)with M(M=a group ⅢB or ⅣB metal),and study their behavior under pressure.Seven of them are predicted to maintain the A15-type structure,similar to AH3 under pressure,providing a platform for studying the effects of alloying on the stability and superconductivity of AH3.Among these,the A15-type phases of AlZrH6 and AlHfH6 are found to be thermodynamically stable in the pressure ranges of 40-150 and 30-181 GPa,respectively.Furthermore,they remain dynam-ically stable at even lower pressures,as low as 13 GPa for AlZrH6 and 6 GPa for AlHfH6.These pressures are significantly lower than that required for stabilizing A15 AlH3.Additionally,the introduction of Zr or Hf increases the electronic density of states at the Fermi level compared with AlH3.This enhancement leads to higher critical temperatures(Tc)of 75 and 76 K for AlZrH6 and AlHfH6 at 20 and 10 GPa,respectively.In the case of GaMH6 alloys,where M represents Sc,Ti,Zr,or Hf,these metals reinforce the stability of the A15-type structure and reduce the lowest thermodynamically stable pressure for GaH3 from 160 GPa to 116,95,80,and 85 GPa,respectively.Particu-larly noteworthy are the A15-type GaMH6 alloys,which remain dynamically stable at low pressures of 97,28,5,and 6 GPa,simultaneously exhibiting high Tc of 88,39,70,and 49 K at 100,35,10,and 10 GPa,respectively.Overall,these findings enrich the family of A15-type superconductors and provide insights for the future exploration of high-temperature hydride superconductors that can be stabilized at lower pressures.

作者：

Xiaowei Liang、Xudong Wei、Eva Zurek、Aitor Bergara、Peifang Li、Guoying Gao、Yongjun Tian

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作者单位：

Center for High Pressure Science(CHiPS),State Key Laboratory of Metastable Materials Science and Technology,Yanshan University,Qinhuangdao 066004,China

School of Materials Science and Engineering,Henan University of Technology,Zhengzhou 450001,China

Department of Chemistry,State University of New York at Buffalo,Buffalo,New York 14260-3000,USA

Physics Department and EHU Quantum Center,University of the Basque Country,UPV/EHU,48080 Bilbao,Spain

Donostia International Physics Center(DIPC),20018 Donostia,Spain

Centro de Física de Materiales CFM,Centro Mixto CSIC-UPV/EHU,20018 Donostia,Spain

Extreme Conditions Physics Research Team,College of Physics and Electronic Information,Inner Mongolia Minzu University,Tongliao 028043,China

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基金：

国家自然科学基金国家自然科学基金国家自然科学基金国家自然科学基金国家重点研发计划河北省自然科学基金Doctoral Fund of Henan University of TechnologyScience and Technology Leading Talents and Innovation Team Building Projects of the Inner Mongolia Autonomous RegionSpanish Ministry of Science and InnovationDepartment of Education,Universities and Research of the Basque Government and the University of the Basque Country国家自然科学基金

项目编号：

520220895237226152288102119640262022YFA1402300E202220310931401579GXKY22060FIS2019-105488GB-I00IT1707-22DMR-2136038

出版年：

2024

DOI：

10.1063/5.0159590

极端条件下的物质与辐射(英文)

中国工程物理研究院科技信息中心

极端条件下的物质与辐射(英文)

ISSN：2468-2047

年,卷(期)：2024.9(1)

参考文献量57