Role of valence electrons for formation of glassy alloys

被引：12

作者：

Fukuhara, Mikio ^{[1
]}

Takahashi, Masae ^{[1
]}

Kawazoe, Yoshiyuki ^{[1
]}

Inoue, Akihisa ^{[1
]}

机构：

[1] Tohoku Univ, Inst Mat Res, Sendai, Miyagi 9808577, Japan

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2009年 / 483卷 / 1-2期

基金：

日本学术振兴会;

关键词：

Glassy alloys; Electronic rule for formation; Valence electrons; Hybridization; BULK METALLIC-GLASS;

D O I：

10.1016/j.jallcom.2008.07.156

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The role of valence electrons for formation of glassy alloys was investigated as a function of their valence electron concentration (VEC). The glass transition temperature T-g of 121 kinds of glassy alloys can be expressed as a linear function of VEC: T-g = 131VEC + 65 (2.3 < VEC < 5.2) for metal/metal bonding type and T-g = -240VEC + 2408 (6.6 < VEC < 9.1) for metal/metalloid bonding one. The thermal stability of the glassy alloys increases by the unsynchronized resonance of electron-pair bonds, and decreases due to increase in covalency by metalloid elements, with an increasing number of valence electrons, respectively. Ab initio molecular orbital calculations of the optimized structures for the Mg monoanion clusters warranted application of the valence electron rule, which is based on a valence electron contribution associated with spd or spf hybridization for glass formation. (C) 2008 Elsevier B.V. All rights reserved.

引用

页码：623 / 626

页数：4

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