THEORY OF DIAMOND-LIKE AMORPHOUS-CARBON

被引：160
作者：
DRABOLD, DA [1 ]
FEDDERS, PA [1 ]
STUMM, P [1 ]
机构：
[1] WASHINGTON UNIV,DEPT PHYS,ST LOUIS,MO 63130
来源：
PHYSICAL REVIEW B | 1994年 / 49卷 / 23期
关键词：
D O I：
10.1103/PhysRevB.49.16415
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
First-principles methods are used to study diamondlike amorphous carbon. Several structural models are introduced, and the topological, electronic, and vibrational properties are discussed. We explore the nature of defects in the amorphous network, and particularly the atomistic origin of the virtually defect-free optical gap. We observe that threefold-coordinated defects pair, and that this is important for obtaining a gap free of localized defect states as seen in experiments.
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页码：16415 / 16422
页数：8
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