PROPERTIES OF LIQUID GROUP-V ELEMENTS - A NUMERICAL TIGHT-BINDING SIMULATION

被引：71

作者：

BICHARA, C

PELLEGATTI, A

GASPARD, JP

机构：

[1] UNIV LIEGE,INST PHYS,B-4000 SART,BELGIUM

[2] CTR ETUD CHIM MET,F-94407 VITRY,FRANCE

来源：

PHYSICAL REVIEW B | 1993年 / 47卷 / 09期

关键词：

D O I：

10.1103/PhysRevB.47.5002

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We present a calculation of the structure of liquid As and Sb obtained from the electronic structure described in the tight-binding approximation. We find pair correlation functions of liquid As and Sb in excellent agreement with the experimental data. We show that the structure of liquid As still shows a Peierls distortion whereas liquid Sb is no longer distorted. In our model, the difference between As and Sb can be attributed to a harder repulsive potential of Sb which penalizes the Peierls distortion.

引用

页码：5002 / 5007

页数：6

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