On the structure of liquid tellurium

被引：17

作者：

Bichara, C ^{[1
]}

Raty, JY ^{[1
]}

Gaspard, JP ^{[1
]}

机构：

[1] UNIV LIEGE, CONDENSED MATTER PHYS LAB, B-4000 LIEGE, BELGIUM

来源：

JOURNAL OF NON-CRYSTALLINE SOLIDS | 1996年 / 205卷

关键词：

D O I：

10.1016/S0022-3093(96)00443-7

中图分类号：

TQ174 [陶瓷工业]; TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The atomic structure and the bonding mechanism in liquid tellurium are investigated by a tight binding Monte Carlo technique. The chain structure is preserved but a third covalent bond emerges with an intermediate interatomic separation (3.15 Angstrom). In addition a bond length alternation inside the chain appears in agreement with recent EXAFS experiments and the valence angles are significantly reduced. The electronic structure is studied and particular attention is paid to the modifications of lone pair interactions in the liquid structure.

引用

页码：361 / 364

页数：4

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