Atomic model for blue luminescences in Mg-doped GaN
Atomic model for blue luminescences in Mg-doped GaN
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DOI：
10.1088/0268-1242/14/2/006
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发表时间：
1999-02
影响因子：
1.9
通讯作者：
Sun-Ghil Lee;K. Chang
中科院分区：
文献类型：
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作者：
Sun-Ghil Lee;K. Chang
我们通过第一性原理赝势计算，研究了重mg掺杂GaN在2.7-2.9 eV左右宽发光的起源。我们发现由一个Mg空位和一个N空位组成的缺陷配合物在价带最大值以上产生2.8 eV左右的光学跃迁水平，这表明蓝色发光是由深层供体到价带的跃迁引起的。加氢促进了-络合物的形成，在富ga条件下生长的p型样品中更容易形成-络合物。
We investigate the origin of the broad luminescence observed around 2.7-2.9 eV in heavily Mg-doped GaN through first-principles pseudopotential calculations. We find that a defect complex composed of an Mg interstitial and an N vacancy gives rise to optical transition levels around 2.8 eV above the valence band maximum, suggesting that the blue luminescences are caused by deep-donor-to-valence-band transitions. The formation of the - complex is enhanced by hydrogenation and is more preferable in p-type samples grown under Ga-rich conditions.