THEORY OF STRUCTURAL TRENDS WITHIN THE SP BONDED ELEMENTS

被引：49

作者：

CRESSONI, JC ^{[1
]}

PETTIFOR, DG ^{[1
]}

机构：

[1] IMPERIAL COLL SCI TECHNOL & MED,DEPT MATH,LONDON SW7 2BZ,ENGLAND

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 1991年 / 3卷 / 05期

关键词：

D O I：

10.1088/0953-8984/3/5/001

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

A simple nearest neighbour orthogonal tight binding model is shown to explain qualitatively the observed trends in structural stability within the sp bonded elements. The relative stabilities were predicted by comparing the band energies directly, using the structural energy difference theorem to prepare the bond lengths of the different structure types appropriately. This allows the structural trends to be interpreted in terms of the topology of the local atomic environment through the behaviour of the first few moments of the densities of states.

引用

页码：495 / 511

页数：17

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