Hidden electronic rule in the "cluster-plus-glue-Atom" model

Jinglian Du, Chuang Dong, Roderick Melnik, Yoshiyuki Kawazoe, Bin Wen

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

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.

Original languageEnglish
Article number33672
JournalScientific reports
Volume6
DOIs
Publication statusPublished - 2016 Sep 19

ASJC Scopus subject areas

  • General

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