Novel Defect Complexes and Their Role in the p-Type Doping of GaN
Novel Defect Complexes and Their Role in the p-Type Doping of GaN
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DOI：
10.1103/physrevlett.82.1887
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发表时间：
1999-03
影响因子：
8.6
通讯作者：
F. Reboredo;S. Pantelides
中科院分区：
文献类型：
--
作者：
F. Reboredo;S. Pantelides
已知氢在GaN的p型掺杂中起关键作用。据信，H钝化Mg掺杂剂，然后通过退火去除。我们目前的第一性原理计算方面，我们表明，掺杂过程是显着更复杂。几个取代-间隙复合物的形式，并可以结合H，与振动频率，以及相关的迄今未识别的观察到的线。我们预测，这些缺陷，这限制了掺杂效率，可以消除退火的气氛中的H和N之前，最终退火，去除H。
Hydrogen is known to play a key role in p-type doping of GaN. It is believed that H passivates Mg dopants and then is removed by annealing. We present first principles calculations in terms of which we show that the doping process is significantly more complex. Several substitutional-interstitial complexes form and can bind H, with vibrational frequencies that correlate well with hitherto unidentified observed lines. We predict that these defects, which limit doping efficiency, can be eliminated by annealing in an atmosphere of H and N prior to the final anneal that removes H.