Hidden electronic rule in the “cluster-plus-glue-atom” model

被引:0
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作者
Jinglian Du
Chuang Dong
Roderick Melnik
Yoshiyuki Kawazoe
Bin Wen
机构
[1] State Key Laboratory of Metastable Materials Science and Technology,
[2] Yanshan University,undefined
[3] Key Laboratory of Materials Modification [Dalian University Technology],undefined
[4] Ministry of Education,undefined
[5] The MS2Discovery Interdisciplinary Research Institute,undefined
[6] Wilfrid Laurier University,undefined
[7] 75 University Ave. West,undefined
[8] BCAM-Basque Center for Applied Mathematics,undefined
[9] New Industry Creation Hatchery Center,undefined
[10] Tohoku University,undefined
[11] Institute of Thermophysics,undefined
[12] Siberian Branch of the Russian Academy of Sciences,undefined
来源
Scientific Reports | / 6卷
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摘要
Electrons and their interactions are intrinsic factors to affect the structure and properties of materials. Based on the “cluster-cluster-plus-glue-atom” model, an electron counting rule for complex metallic alloys (CMAs) has been revealed in this work (i. e. the CPGAMEC rule). Our results on the cluster structure and electron concentration of CMAs with apparent cluster features, indicate that the valence electrons’ number per unit cluster formula for these CMAs are specific constants of eight-multiples and twelve-multiples. It is thus termed as specific electrons cluster formula. This CPGAMEC rule has been demonstrated as a useful guidance to direct the design of CMAs with desired properties, while its practical applications and underlying mechanism have been illustrated on the basis of CMAs’ cluster structural features. Our investigation provides an aggregate picture with intriguing electronic rule and atomic structural features of CMAs.
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