COEXISTENCE OF MONATOMIC AND DIATOMIC MOLECULAR FLUID CHARACTER IN LIQUID GALLIUM

被引：98

作者：

GONG, XG

CHIAROTTI, GL

PARRINELLO, M

TOSATTI, E

机构：

[1] SCUOLA INT SUPER STUDI AVANZATI,I-34014 TRIESTE,ITALY

[2] CONSORZIO INTERUNIV NAZL FIS MAT,TECNOL AVANZATE SUPERFICI & CATALISI LAB,I-34012 TRIESTE,ITALY

[3] IBM CORP,DIV RES,ZURICH FORSCHUNGSLAB,CH-8803 RUSCHLIKON,SWITZERLAND

来源：

EUROPHYSICS LETTERS | 1993年 / 21卷 / 04期

关键词：

COMPUTER SIMULATION OF STATIC AND DYNAMIC BEHAVIOR; LIQUID METALS; ELECTRON ENERGY STATES IN LIQUID METALS;

D O I：

10.1209/0295-5075/21/4/015

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

We have performed an ab initio molecular-dynamics simulation of liquid Ga at high temperature (1000 K). Our results are in good agreement with scattering data and with Knight-shift experiments. A remarkable feature of our findings is the coexistence in the liquid state of metallic and covalent characters. Covalency manifests itself in the appearance of very short-lived Ga-Ga bonds, which represent remnants in the liquid of the crystalline form alpha-Ga. We set up a two-fluid scheme which can be used for the analysis of fluids where metallic and covalent characters coexist.

引用

页码：469 / 475

页数：7