Yan Yanfa, Li Jingbo, Wei Su-Huai, Al-Jassim M M
National Renewable Energy Laboratory, Golden, CO 80401, USA.
Phys Rev Lett. 2007 Mar 30;98(13):135506. doi: 10.1103/PhysRevLett.98.135506. Epub 2007 Mar 29.
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.
不对称掺杂问题严重阻碍了许多宽带隙（WBG）材料的潜在应用。在此，我们提出了一种可能的方法来克服WBG半导体这一长期存在的掺杂不对称问题。我们的方法基于通过引入和有效掺杂相互钝化的杂质带来降低掺杂剂的电离能，这可以通过用无源施主 - 受主络合物或等价杂质掺杂主体来实现。我们的密度泛函理论计算表明，这种方法为金刚石的n型掺杂和ZnO的p型掺杂提供了很好的解释，而这是以前的理论无法理解的。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。
