Cluster formulas of Hume-Rothery phases

来源：大连理工大学学报杂志2015年第4期北京时间：

作者：QIANG Jianbing,KE Xing,WANG Yingmin,SUN Jizhong,LIU Tianwei,DONG Chuang

摘要：Hume-Rotheryphasessharingthesamee/a(electronconcentration,whichusuallyis1.50(=21/14),1.62(=21/13),1.75(=21/12))crystallizeintomanydifferenttypesofstructuresbasedonacommonBravaislattice,hencethee/aalonecannotbeusedasthefingerprintparameterspecifyingaHume-Rotheryphase.ArefinedelectronicstructureparameterisdesirablefortheclassificationofHume-Rotheryphasesinamorerigorousmanner.Sothecluster-plus-glue-atommodelisusedtodecipherthestructuresofHume-Rotheryphases,fromwhichtheclusterformulaandrelativenumberofelectronsperunitformula,e/u,arederived.Hume-Rotheryphaseswithanidenticale/aareclassifiedbye/u,soe/uisanewparametertospecifyHume-Rotheryphasestructures.

关键词：Hume-Rotheryphaseselectronconcentrationcluster-plus-glue-atommodelclusterformula

基金资助：中央高校基本科研业务费专项资金资助项目(DUT13ZD102)；中国工程物理研究院科学技术重点发展基金资助项目(2013A0301015)；国防基础科研项目(B1520133007)；国际热核聚变实验堆计划资助项目(2013GB107003).