Sequestration of helium and xenon via iron-halide compounds in early Earth  

作　　者：Jurong Zhang Hanyu Liu Changfeng Chen Yanming Ma 

机构地区：[1]Key Laboratory of Material Simulation Methods and Software of Ministry of Education and State Key Laboratory of Superhard Materials,College of Physics,Jilin University,Changchun 130012,China [2]School of Physics and Electronics,Shandong Normal University,Jinan 250014,China [3]International Center of Future Science,Jilin University,Changchun 130012,China [4]Department of Physics and Astronomy,University of Nevada,Las Vegas,Nevada 89154,USA

出　　处：《Matter and Radiation at Extremes》2024年第3期83-88,共6页极端条件下的物质与辐射（英文）

基　　金：This work is supported by the National Natural Science Foundation of China(Grant Nos.12204280 and 12147135);the Postdoctoral Science Foundation of China(Grant No.2021M691980);Natural Science Foundation of Shandong Province(Grant No.ZR202103010004);the Jilin Province Science and Technology Development Program(Grant No.YDZJ202102CXJD016);the Program for Jilin University Science and Technology Innovative Research Team(2021TD-05);the Program for Jilin University Computational Interdisciplinary Innovative Platform。

摘　　要：The terrestrial abundance anomalies of helium and xenon suggest the presence of deep-Earth reservoirs of these elements,which has led to great interest in searching for materials that can host these usually unreactive elements.Here,using an advanced crystal structure search approach in conjunction with first-principles calculations,we show that several Xe/He-bearing iron halides are thermodynamically stable in a broad region of P–T phase space below 60 GPa.Our results present a compelling case for sequestration of He and Xe in the early Earth and may suggest their much wider distribution in the present Earth than previously believed.These findings offer insights into key material-based and physical mechanisms for elucidating major geological phenomena.

关 键 词：HALIDE SEARCHING INSIGHT 

分 类 号：O64[理学—物理化学]