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压力下超导 RbBSi 化合物的预测
Alternative TitlePrediction of Superconducting RbBSi Compounds under Pressure
Liu, Jinyu1; Cui, Xiangyue2; Liu, Ailing1; Cheng, Xiaoran1; Wang, Xingyu1; Wang, Yujia1; Zhang, Miao1
2024-04-01
Source PublicationGaoya Wuli Xuebao/Chinese Journal of High Pressure Physics
ISSN1000-5773
Volume38Issue:2Pages:020107
Abstract

 对RbBSi化合物在0~100 GPa压力范围内进行了广泛的群体智能结构搜索。提出了RbBSi的3种不同相,并通过第一性原理计算了其稳定性、电子结构和潜在的超导电性。在所研究的压力范围内,所有预测相在热力学和动力学上都是稳定的。3个相的能带都穿过费米能级,表明结构具备金属性。此外,P4/nmm-RbBSi在常压下的超导转变温度为14.4 K。这项工作加深了人们对碱金属硼硅化合物在超导体领域的理解,有望拓宽碱金属硼硅化合物在超导体领域的应用。

Other Abstract

In this work, we have performed extensive swarm-intelligence structures searching simulations on the RbBSi compounds within the pressure range from 0 to 100 GPa. We have proposed three different phases of RbBSi, of which the stability, the electronic structure and the potential superconductivity were calculated by first-principles calculations. All predicted phases are thermodynamically and dynamically stable within the studied pressure range. The bands of the three phases crossing the Fermi level indicate the structures are all metallic. In addition, P4/nmm-RbBSi is a superconductor with T of 14.4 K at ambient pressure. This work extends the understanding and potential application of alkali metal boron-silicide compounds in the field of superconductor.

KeywordAlkali-metal Boron-silicide Crystal Structure Prediction First-principles Calculations High-pressure
DOI10.11858/gywlxb.20230765
URLView the original
Indexed By核心期刊
Language中文Chinese
Scopus ID2-s2.0-85193687623
Fulltext Access
Citation statistics
Document TypeJournal article
CollectionUniversity of Macau
Corresponding AuthorZhang, Miao
Affiliation1.Department of Physics, School of Sciences, Beihua University, Jilin, Jilin, 132013, China
2.Joint Key Laboratory of the Ministry of Education, Institute of Applied Physics and Materials Engineering, University of Macau, Taipa, 999078, Macao
Recommended Citation
GB/T 7714
Liu, Jinyu,Cui, Xiangyue,Liu, Ailing,等. 压力下超导 RbBSi 化合物的预测[J]. Gaoya Wuli Xuebao/Chinese Journal of High Pressure Physics, 2024, 38(2), 020107.
APA Liu, Jinyu., Cui, Xiangyue., Liu, Ailing., Cheng, Xiaoran., Wang, Xingyu., Wang, Yujia., & Zhang, Miao (2024). 压力下超导 RbBSi 化合物的预测. Gaoya Wuli Xuebao/Chinese Journal of High Pressure Physics, 38(2), 020107.
MLA Liu, Jinyu,et al."压力下超导 RbBSi 化合物的预测".Gaoya Wuli Xuebao/Chinese Journal of High Pressure Physics 38.2(2024):020107.
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