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Chin. Phys. B, 2019, Vol. 28(10): 106201    DOI: 10.1088/1674-1056/ab3f95
Special Issue: TOPICAL REVIEW — CALYPSO structure prediction methodology and its applications to materials discovery
TOPICAL REVIEW—CALYPSO structure prediction methodology and its applications to materials discovery Prev   Next  

High-pressure electrides: From design to synthesis

Biao Wan(万彪)1,2, Jingwu Zhang(张静武)1, Lailei Wu(吴来磊)1, Huiyang Gou(缑慧阳)2
1 Key Laboratory of Metastable Materials Science and Technology, College of Material Science and Engineering, Yanshan University, Qinhuangdao 066004, China;
2 Center for High Pressure Science and Technology Advanced Research, Beijing 100094, China
Abstract  Electrides are unique ionic compounds that electrons serve as the anions. Many electrides with fascinating physical and chemical properties have been discovered at ambient condition. Under pressure, electrides are also revealed to be ubiquitous crystal morphology, enriching the geometrical topologies and electronic properties of electrides. In this Review, we overview the formation mechanism of high-pressure electrides (HPEs) and outline a scheme for exploring new HPEs from pre-design, CALYPSO assisted structural searches, indicators for electrides, to experimental synthesis. Moreover, the evolution of electronic dimensionality under compression is also discussed to better understand the dimensional distribution of anionic electrons in HPEs.
Keywords:  electrides      high pressure      CALYPSO      structural search  
Received:  12 June 2019      Revised:  06 July 2019      Accepted manuscript online: 
PACS:  62.50.-p (High-pressure effects in solids and liquids)  
  61.50.Ks (Crystallographic aspects of phase transformations; pressure effects)  
Corresponding Authors:  Huiyang Gou     E-mail:  huiyang.gou@hpstar.ac.cn

Cite this article: 

Biao Wan(万彪), Jingwu Zhang(张静武), Lailei Wu(吴来磊), Huiyang Gou(缑慧阳) High-pressure electrides: From design to synthesis 2019 Chin. Phys. B 28 106201

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