Localisation and density of states in amorphous carbon-based alloys

被引：18

作者：

Fanchini, G

Tagliaferro, A ^{[1
]}

机构：

[1] Politecn Torino, Dipartimento Fis, Turin, Italy

[2] Politecn Torino, Unita INFM, Turin, Italy

来源：

关键词：

density of states; localised states; optical properties; amorphous carbon;

D O I：

10.1016/S0925-9635(00)00467-2

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The aim of this work was to thoroughly discuss all local effects affecting the nature and energy distribution of pi and pi* states. In particular, the role of overlap between atomic orbitals, disorder and localisation will be treated. It will be shown that, while the overlap of atomic p-orbitals leads to states asymmetric with respect to the non-bonding level, the disorder-induced fluctuations of the clusters non-bonding level lead to the broadening of Gaussian pi and pi* density-of-states (DOS) bands. The role of charge transfer and its effect on the correlation energy will be discussed as well. On such basis, the optical and paramagnetic properties of (t)(a)-C(:H) will be successfully modelled. (C) 2001 Elsevicr Science B.V. All rights reserved.

引用

页码：191 / 199

页数：9

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