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P- and n-type doping in carbon modifications

机译:碳修饰中的P型和N型掺杂

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摘要

We present a density-functional based tight-binding (DF-TB) study of the possibility of both n- and p-doping of natural and chemical vapor-deposited diamond, and tetrahedrally bonded amorphous carbon, ta-C. We explain in terms of a charge transfer effect involving partially formed pi bonds, and carbon defects why neither N, B nor P dope ta-C and why N remains fourfold-coordinated in this material but fails to dope. This failure is suggestive of a novel fully sp(2)-bonded carbon crystal modification in which both shallow n- and p-doping may be possible. (C) 1998 Elsevier Science B.V. All rights reserved. [References: 15]
机译:我们提出了基于密度泛函的紧密结合(DF-TB)研究天然和化学气相沉积金刚石以及四面键结合的无定形碳ta-C的n和p掺杂的可能性。我们用涉及部分形成的pi键的电荷转移效应和碳缺陷来解释为什么N,B和P都不掺杂ta-C,为什么N在这种材料中保持四重配位但不能掺杂。这种失败表明新的完全sp(2)键合的碳晶体修饰,其中浅n型和p型掺杂都可能。 (C)1998 Elsevier Science B.V.保留所有权利。 [参考:15]

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