Possible approach to overcome the doping asymmetry in wideband gap semiconductors.
Possible approach to overcome the doping asymmetry in wideband gap semiconductors.
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DOI：
10.1103/physrevlett.98.135506
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发表时间：
2007-03
影响因子：
8.6
通讯作者：
Yanfa Yan;Jingbo Li;S. Wei;M. Al‐Jassim
中科院分区：
文献类型：
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作者：
Yanfa Yan;Jingbo Li;S. Wei;M. Al‐Jassim
非对称掺杂问题严重阻碍了许多宽带隙材料的潜在应用。在这里，我们提出了一种可能的方法来克服这个长期存在的掺杂不对称问题的WBG半导体。我们的方法是基于通过引入和有效掺杂的相互钝化的杂质带，这可以通过掺杂与被动施主-受主复合物或等价杂质的主机的电离能的降低。我们的密度泛函理论计算表明，这种方法提供了很好的解释的n型掺杂的金刚石和p型掺杂的ZnO，这是不能理解的以前的理论。原则上，这种方法可以应用于任何WBG半导体，因此将为WBG材料的应用开辟广阔的前景。
The asymmetry doping problem has severely hindered the potential applications of many wideband gap (WBG) materials. Here, we propose a possible approach to overcome this long-standing doping asymmetry problem for WBG semiconductors. Our approach is based on the reduction of the ionization energies of dopants through introduction and effective doping of mutually passivated impurity bands, which can be realized by doping the host with passive donor-acceptor complexes or isovalent impurities. Our density-functional theory calculations demonstrate that this approach provides excellent explanations for the n-type doping of diamond and p-type doping of ZnO, which could not be understood by previous theories. In principle, this approach can be applied to any WBG semiconductors and therefore will open a broad vista for the application of WBG materials.